SCHEMBL10334166

SCHEMBL10334166

CC(C)(c1ccccc1)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccccc5)cc4)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.61
ELANE P08246 4/20 0.54
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.49
PARP10 Q53GL7 1/20 0.49
ALDH1A1 P00352 2/20 0.48
ESR1 P03372 1/20 0.48
CYP3A4 P08684 1/20 0.48
ESR2 Q92731 1/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL10930836 0.97 SRD5A2 (0.61) SRD5A2ELANEPOLB
SCHEMBL17879954 0.97 SRD5A2 (0.66) SRD5A2ELANEPOLBNPC1RAB9A
SCHEMBL19380455 0.94 SRD5A2 (0.54) SRD5A2ELANEPOLBRAB9AKDM4E
SCHEMBL16079754 0.94 ESR1 (0.61) SRD5A2ELANEPOLBNPC1RAB9A
SCHEMBL12731828 0.88 SRD5A2 (0.51) SRD5A2ELANEPOLBPARP10
SCHEMBL13085924 0.88 SRD5A2 (0.51) SRD5A2ELANEPOLBNPC1RAB9A
SCHEMBL19008824 0.86 MAPT (0.56) SRD5A2ELANENPC1RAB9APARP10
SCHEMBL12978434 0.86 MAPT (0.56) SRD5A2ELANENPC1RAB9APARP10
SCHEMBL12890394 0.86 ELANE (0.60) SRD5A2ELANERAB9APARP10ALDH1A1
SCHEMBL12769548 0.86 MMP13 (0.57) SRD5A2ELANENPC1RAB9AALDH1A1

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
JP-2178326-A None JP disclosed
JP-H02178326-A PRODUCTION OF POLYIMIDE HAVING GOOD THERMAL STABILITY MITSUI TOATSU CHEM INC 1990-07-11 JP disclosed