SCHEMBL10695401

SCHEMBL10695401

CC(C)C1(c2ccccc2O)Cc2ccccc2N(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.42
NPC1 O15118 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HCRTR1 O43613 1/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
NOTUM Q6P988 1/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
BACE1 P56817 3/20 0.34
NQO1 P15559 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL10691597 0.82 ADRA1A (0.39) RAD52MAPTTSHRADAMTS5ALDH1A1
SCHEMBL10691351 0.82 GPR55 (0.39) RAD52EHMT2MAPTLMNAKDM4E
SCHEMBL10692536 0.80 NOTUM (0.41) RAD52NPC1EHMT2MAPTLMNA
SCHEMBL10693819 0.79 OPRD1 (0.40) RAD52EHMT2OPRM1OPRK1
SCHEMBL10694392 0.76 NPC1 (0.47) RAD52NPC1EHMT2MAPTLMNA
SCHEMBL10694665 0.76 RAD52 (0.36) RAD52EHMT2MAPTLMNAKDM4E
SCHEMBL10693548 0.75 RAD52 (0.35) RAD52EHMT2MAPTHTTALDH1A1
SCHEMBL10691593 0.74 L3MBTL1 (0.42) NPC1MAPTLMNATSHRADAMTS5
SCHEMBL10696619 0.74 RAD52 (0.34) RAD52EHMT2MAPTHTTALDH1A1
SCHEMBL10691306 0.74 ALDH1A1 (0.41) RAD52EHMT2MAPTLMNAKDM4E

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-4778793-A CONTROLLING CALCIUM CONCENTRATION-CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed