SCHEMBL8189368

SCHEMBL8189368

COc1cccc(-c2ccc(CO)cc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP4B1 P13584 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP3A5 P20815 1/20 0.45
CYP2A7 P20853 1/20 0.45
CYP3A7 P24462 1/20 0.45
CYP2F1 P24903 1/20 0.45
CYP2C18 P33260 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP2J2 P51589 1/20 0.45

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
SCHEMBL16675748 0.88 FFAR1 (0.53) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL2310765 0.81 FFAR1 (0.53) MAOBCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL8016866 0.81 CYP11B1 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19ABL1
SCHEMBL30830335 0.81 CYP11B1 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19ABL1
SCHEMBL16057815 0.81 ESR2 (0.44) FFAR1SLC9A1MMP2MMP3CNR1
SCHEMBL4937029 0.80 FYN (0.56) MAOBCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL15413958 0.80 ESR2 (0.60)
SCHEMBL14850870 0.79 ACHE (0.57) MAOBCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL31222693 0.79 MAOB (0.66) MAOBCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL2604700 0.79 MAOB (0.66) MAOBCYP1A1CYP1A2CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080870-A Biaryl substituted imidazole compounds useful as farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-06-27 US disclosed