SCHEMBL9778935

SCHEMBL9778935

Cc1ccccc1COc1ccc(C2SCCCS2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
FFAR1 O14842 3/20 0.45
ACHE P22303 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39

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
SCHEMBL9778639 0.94 MAOB (0.52) MAOBOPRM1OPRD1S1PR1S1PR5
SCHEMBL9778569 0.83 MAPT (0.45) MAOBOPRM1OPRD1KMT2AMAPT
SCHEMBL9778795 0.83 NR4A2 (0.50) MAOBOPRD1KMT2AMAPTKDM4E
SCHEMBL7571981 0.81 MAOB (0.57) MAOBMAPTLMNA
SCHEMBL9778576 0.81 PARP10 (0.51) MAOBFFAR1KMT2AMAPTKDM4E
SCHEMBL9778761 0.81 TDP1 (0.48) MAOBKMT2AMAPTKDM4EALDH1A1
SCHEMBL9778837 0.80 KCNH2 (0.52) MAOBFFAR1KMT2AMAPTKDM4E
SCHEMBL9778479 0.79 MAOB (0.56) MAOBFFAR1MAPTLMNA
SCHEMBL9778680 0.79 MAOB (0.51) MAOBOPRD1S1PR5KMT2AMAPT
SCHEMBL9778819 0.78 MAPT (0.51) MAOBOPRM1OPRD1MAPTKDM4E

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-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed