SCHEMBL9735336

SCHEMBL9735336

COCC1(C)C=C(Oc2cc[nH]c(=O)c2)c2cc(C(=O)OC)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
RAB9A P51151 4/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PDPK1 O15530 1/20 0.33
CNR2 P34972 4/20 0.33
POLB P06746 2/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MCL1 Q07820 1/20 0.32
CNR1 P21554 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CREBBP Q92793 1/20 0.31
CASP3 P42574 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL9737040 0.84 NPSR1 (0.30) NPSR1L3MBTL1
SCHEMBL9736448 0.82 ALOX5 (0.35) ALOX5RAB9AMAPTSMN1; SMN2PDPK1
SCHEMBL9735503 0.80 ALOX5 (0.35) ALOX5RAB9AMAPTSMN1; SMN2PDPK1
SCHEMBL9735903 0.79 CNR2 (0.36) ALOX5RAB9AMAPTSMN1; SMN2CNR2
SCHEMBL9737102 0.76 CNR2 (0.37) ALOX5RAB9AMAPTSMN1; SMN2PDPK1
SCHEMBL9733057 0.74 PDPK1 (0.38) ALOX5RAB9AMAPTSMN1; SMN2PDPK1
SCHEMBL9735584 0.72 ALOX5 (0.34) ALOX5RAB9AMAPTSMN1; SMN2POLB
SCHEMBL9735767 0.70 ALOX5 (0.33) ALOX5RAB9AMAPTSMN1; SMN2POLB
SCHEMBL7853544 0.69 CA1 (0.50) RAB9AMAPTSMN1; SMN2POLBMEN1
SCHEMBL9736905 0.69 ALOX5 (0.39) ALOX5RAB9AMAPTSMN1; SMN2CNR2

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed