SCHEMBL9575971

SCHEMBL9575971

C=CCOc1ccc(C[C](C)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CYP2D6 P10635 1/20 0.44
FFAR1 O14842 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL2471059 0.82 PPARD (0.56) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL7038941 0.78 ALDH1A1 (0.52) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL28972445 0.78 FFAR1 (0.47) NPC1RAB9AALDH1A1MAPTPOLB
1,4-Diallyloxybenzene SCHEMBL302448 0.78 CA12 (0.63) NPC1RAB9ATP53ALDH1A1MAPT
SCHEMBL10345724 0.77 CA2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7711217 0.77 CA12 (0.47) NPC1RAB9ATP53ALDH1A1MAPT
SCHEMBL9575973 0.77 CYP2D6 (0.54) NPC1RAB9ATP53ALDH1A1MAPT
SCHEMBL2521425 0.77 CA12 (0.50) NPC1RAB9ATP53ALDH1A1MAPT
SCHEMBL7929787 0.77 ALDH1A1 (0.50) NPC1RAB9ATP53ALDH1A1MAPT
SCHEMBL826483 0.77 CA12 (0.53) NPC1RAB9ATP53ALDH1A1MAPT

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-0281941-B1 Coreactive photoinitiators CIBA GEIGY AG (CH) 1993-12-08 EP claimed