SCHEMBL3672694

SCHEMBL3672694

COc1c(CN2CCOCC2)ccc(C(=O)C(C)(C)O)c1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 4/20 0.40
CYP2A13 Q16696 1/20 0.40
CNR1 P21554 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNJ1 P48048 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL1067998 0.84 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2CYP2C9ALOX15
SCHEMBL27808415 0.75 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2CYP2C9ALOX15
SCHEMBL3673130 0.73 CYP2C9 (0.49) CYP2C9ALOX15HSD17B10HCRTR1HCRTR2
SCHEMBL3672690 0.72 KMT2A (0.44) NPC1RAB9ASMN1; SMN2CYP2C9ALOX15
SCHEMBL3669987 0.72 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL13726528 0.70 MEN1 (0.72) SMN1; SMN2CYP2C9ALOX15HSD17B10MEN1
SCHEMBL3671623 0.70 CYP2C9 (0.46) CYP2C9ALOX15HSD17B10MEN1KMT2A
SCHEMBL3670794 0.70 MAPK1 (0.51) SMN1; SMN2ALOX15HSD17B10MEN1KMT2A
SCHEMBL27808417 0.70 CYP2C9 (0.51) CYP2C9ALOX15HSD17B10HCRTR1HCRTR2
SCHEMBL5753998 0.68 CYP2A13 (0.53) NPC1RAB9ASMN1; SMN2CYP2C9ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642296-B2 2-hydroxy-1-(4-hydroxymethyl-phenyl)-2-methyl-propan-1-one, have higher reactivity at the benzylic hydroxy group and do not have a tendency to yellowing; photocurable composition for pigmented or non-pigmented varnish surface coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed