SCHEMBL7604631

SCHEMBL7604631

COc1ccc(CCC(O)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CALM1 P0DP23 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
ADRB3 P13945 4/20 0.48
ADRB2 P07550 3/20 0.48
ADRB1 P08588 1/20 0.48
F2RL1 P55085 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL2942342 0.85 HTT (0.59) HTTSMN1; SMN2CALM1TAAR1MEN1
SCHEMBL2238188 0.85 HTT (0.59) HTTSMN1; SMN2CALM1TAAR1MEN1
SCHEMBL7774968 0.84 HTT (0.51) HTTSMN1; SMN2CALM1TAAR1MEN1
SCHEMBL7277594 0.82 HTT (0.56) HTTSMN1; SMN2CALM1TAAR1MEN1
SCHEMBL29657236 0.81 HTT (0.59) HTTSMN1; SMN2CALM1TAAR1MEN1
SCHEMBL28851988 0.81 HTT (0.59) HTTSMN1; SMN2CALM1TAAR1MEN1
SCHEMBL879606 0.80 HTT (0.62) HTTSMN1; SMN2CALM1TAAR1MEN1
SCHEMBL24827599 0.80 HTT (0.50) HTTSMN1; SMN2CALM1TAAR1MEN1
SCHEMBL5477927 0.80 TAAR1 (0.56) TAAR1
SCHEMBL21592910 0.79 SMN1; SMN2 (0.53) HTTSMN1; SMN2CALM1TAAR1MEN1

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
EP-0799819-B1 1-Dimethylaminomethyl 2-phenyl cycloalk-2-ene derivatives with analgesic activity GRUENENTHAL GMBH (DE) 2002-09-11 EP disclosed