SCHEMBL7983452

SCHEMBL7983452

CCC/C=C\Cc1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
IDO1 P14902 2/20 0.38
MAOB P27338 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TLR8 Q9NR97 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL6053595 0.78 TAAR1 (0.54) TAAR1IDO1MAOBCYP1A2CYP2D6
SCHEMBL248641 0.78 TAAR1 (0.54) TAAR1IDO1MAOBCYP1A2CYP2D6
SCHEMBL10580854 0.77 HSPA5 (0.45) TAAR1IDO1CYP2D6
SCHEMBL28347809 0.77 TAAR1 (0.44) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL27472840 0.74 TAAR1 (0.48) TAAR1IDO1MAOBCYP1A2CYP2D6
SCHEMBL28059435 0.74 TAAR1 (0.48) TAAR1IDO1MAOBCYP1A2CYP2D6
SCHEMBL28803517 0.73 TAAR1 (0.46) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL2353514 0.71 MAOB (0.68) MAOB
SCHEMBL691656 0.71 MAOB (0.68) MAOB
SCHEMBL4201453 0.70 TAAR1 (0.60) TAAR1IDO1CYP1A2CYP2D6CYP2C9

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-6262073-B1 INHIBITING THE ACTION OF A PRO-INFLAMMATORY CYTOKINE OXIS INTERNATIONAL INC. 2001-07-17 US disclosed
US-6136832-A RACEMIC MIXTURES AND ENANTIOMORPHS OXIS INTERNATIONAL INC. (US) 2000-10-24 US disclosed
US-6005000-A 5,5-Disubstituted-3, 4-dihydroxy-2(5H)-furanones and methods of use therefor OXIS INTERNATIONAL, INC. (US) 1999-12-21 US disclosed
EP-0938482-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR Oxis International, Inc. (US) 1999-09-01 EP disclosed
WO-1998007714-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR OXIS INTERNATIONAL, INC. (US) 1998-02-26 WO disclosed