SCHEMBL11701430

SCHEMBL11701430

COc1ccc(C([C]=O)C(=O)Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.58
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
NPC1 O15118 2/20 0.49
PLAU P00749 1/20 0.47
ELANE P08246 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ALOX5 P09917 1/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
CNR1 P21554 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 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
SCHEMBL9149235 0.87 CNR2 (0.57) CNR2ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL4291663 0.85 AKR1B1 (0.52) CNR2CNR1TSHR
SCHEMBL27844374 0.78 CNR2 (0.59) CNR2ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL9782046 0.78 LDHA (0.49) CNR2ALDH1A1RAB9AMAPTNPC1
SCHEMBL19551413 0.75 KLK7 (0.54) CNR2ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL15087618 0.74 CNR2 (1.00) CNR2ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL1050646 0.73 MTNR1A (0.49) CNR2L3MBTL1USP2TDP1
SCHEMBL4032340 0.73 NPC1 (0.66) CNR2ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL11754330 0.73 ALDH1A1 (0.54) CNR2ALDH1A1L3MBTL1PPARGPPARA
SCHEMBL27844375 0.72 CNR2 (0.52) CNR2ALDH1A1RAB9ASMN1; SMN2MAPT

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-4042472-A Electrolytic process for 7-methoxy-3-exomethylenecepham compounds ELI LILLY AND COMPANY (US) 1977-08-16 US disclosed