SCHEMBL11192594

SCHEMBL11192594

COc1ccc(CSCC[N])cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
ALDH1A1 P00352 2/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
ATM Q13315 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
AOC3 Q16853 1/20 0.42
LDHA P00338 1/20 0.42
LMNA P02545 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL2420183 0.85 CA2 (0.65) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL11192459 0.81 PTGS2 (0.50) ALDH1A1KDM4ECYP19A1CYP3A4MAPT
SCHEMBL15618807 0.76 TAAR1 (0.58) ATMKDM4ECYP19A1CYP1A2CYP3A4
SCHEMBL7319619 0.76 ATM (0.66) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL2420190 0.74 CA2 (0.61) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL11269213 0.73 SMN1; SMN2 (0.57) CA2ALDH1A1SMN1; SMN2MAPTLDHA
SCHEMBL11265685 0.73 CYP1A2 (0.61) CA2ALDH1A1CYP1A2SMN1; SMN2MAPT
SCHEMBL31157848 0.71 CYP19A1 (0.77) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL2095593 0.71 CA2 (1.00) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL16641094 0.71 CYP19A1 (0.77) CA2ALDH1A1PPARGPPARDPPARA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4394520-A SKIN DISORDERS SOCIETE ANONYME DITE: L'OREAL (FR) 1983-07-19 US disclosed
US-4204064-A FOR TREATMENT OF SKIN OR SCALP L'OREAL (FR) 1980-05-20 US disclosed
US-4085217-A DERIVATIVES OF CYSTEINE OR CYSTEAMINE L'OREAL (FR) 1978-04-18 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