SCHEMBL68470

SCHEMBL68470

NCCSCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.68
CYP1A2 P05177 4/20 0.68
CYP2D6 P10635 4/20 0.68
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 2/20 0.53
IDO1 P14902 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
CYP2A6 P11509 1/20 0.48
HTR2A P28223 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
KIF11 P52732 1/20 0.46
PRMT1 Q99873 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
ALPL P05186 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1466264 0.98 CYP2C19 (0.65) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
Bromide SCHEMBL11187006 0.98 CYP2C19 (0.65) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL6682623 0.88 CYP2C19 (0.66) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL11556861 0.87 TAAR1 (0.54) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
Succinic Acid SCHEMBL11863609 0.87 CYP2C19 (0.73) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL10435945 0.86 CYP2C19 (0.52) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL11119737 0.85 CYP2C19 (0.48) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
Fumaric Acid SCHEMBL11188931 0.85 CYP2C19 (0.56) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
Fumaric Acid SCHEMBL11188926 0.85 CYP2C19 (0.56) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL3078147 0.85 CYP2C19 (0.64) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 907 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1068239-A2 ANTIOXIDANT PEPTIDES DERIVED FROM APOLIPOPROTEIN A-IV UNIVERSITY OF CINCINNATI (US) 2001-01-17 EP claimed
US-6004987-A ANTIINFLAMMATORY AGENTS FOR MAMMALS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-12-21 US claimed
WO-1999050286-A2 ANTIOXIDANT PEPTIDES DERIVED FROM APOLIPOPROTEIN A-IV UNIVERSITY OF CINCINNATI (US) 1999-10-07 WO claimed
EP-0304649-B1 Salts of 6-piperidino-2,4-diaminopyrimidin-3-oxide and of derivatives of thiamorpholin-3-on-5-carboxylic acid, their cosmetical and medicinal use. L'OREAL (FR) 1991-03-20 EP claimed
EP-0304649-A1 Salts of 6-piperidino-2,4-diaminopyrimidin-3-oxide and of derivatives of thiamorpholin-3-on-5-carboxylic acid, their cosmetical and medicinal use. L'OREAL (FR) 1989-03-01 EP claimed
US-4323553-A Composition for strengthening and revitalizing brittle or damaged nails containing a salt of 2-benzylthio ethylamine L'OREAL (FR) 1982-04-06 US claimed
US-4288433-A THIOETHER AND A XANTHINE DERIVATIVE L'OREAL (FR) 1981-09-08 US claimed
US-4035492-A Oral treatment of seborrhea with cysteamine derivatives L'OREAL (FR) 1977-07-12 US claimed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 US claimed
US-20250345303-A1 THERAPEUTIC COMPOSITIONS WINTERMUTE BIOMEDICAL INC (US) 2025-11-13 US disclosed
US-12383524-B2 Therapeutic compositions of undecylenic acid and arginine WINTERMUTE BIOMEDICAL, INC. (US) 2025-08-12 US disclosed
US-20250241883-A1 THERAPEUTIC METHODS USING DECANOIC ACID AND AMINO ACIDS WINTERMUTE BIOMEDICAL, INC. 2025-07-31 US disclosed
US-4035492-A Oral treatment of seborrhea with cysteamine derivatives L'OREAL (FR) 1977-07-12 US disclosed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 US disclosed
US-3976781-A SULFUR CONTAINING AMINES L'OREAL (FR) 1976-08-24 US disclosed
US-3950542-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1976-04-13 US disclosed