SCHEMBL9720765

SCHEMBL9720765

CN(CCc1ccccc1)Cc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
KDM4E B2RXH2 2/20 0.58
CARM1 Q86X55 1/20 0.55
PRMT6 Q96LA8 1/20 0.55
PRMT8 Q9NR22 1/20 0.55
SLC6A5 Q9Y345 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
BCHE P06276 2/20 0.52
ACHE P22303 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
OPRM1 P35372 4/20 0.51
OPRD1 P41143 4/20 0.51
OPRK1 P41145 4/20 0.51
HDAC1 Q13547 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL12018644 1.00 SIGMAR1 (0.59) SIGMAR1KDM4ECARM1PRMT6PRMT8
SCHEMBL579483 0.91 ACHE (0.58) SIGMAR1KDM4ECARM1PRMT6PRMT8
SCHEMBL8402960 0.89 SIGMAR1 (0.71) SIGMAR1CARM1PRMT6PRMT8MEN1
SCHEMBL4422628 0.86 SIGMAR1 (0.59) SIGMAR1CARM1PRMT6PRMT8MEN1
SCHEMBL21231364 0.85 ALDH1A1 (0.65) SIGMAR1CARM1PRMT6PRMT8MEN1
SCHEMBL6538284 0.85 SIGMAR1 (0.67) SIGMAR1CARM1PRMT6PRMT8MEN1
SCHEMBL13222367 0.84 KDM4E (0.62) SIGMAR1KDM4ECARM1PRMT6PRMT8
Hydrochloric Acid SCHEMBL3330624 0.84 SIGMAR1 (0.61) SIGMAR1CARM1PRMT6PRMT8MEN1
SCHEMBL3148258 0.82 CARM1 (0.59) SIGMAR1CARM1PRMT6PRMT8MEN1
SCHEMBL7599299 0.82 CARM1 (0.59) SIGMAR1CARM1PRMT6PRMT8MEN1

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-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed