SCHEMBL9865069

SCHEMBL9865069

NC(=O)C=Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
SRD5A2 P31213 1/20 0.64
MEN1 O00255 1/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
PARP10 Q53GL7 2/20 0.55
TLR4 O00206 1/20 0.51
TLR2 O60603 1/20 0.51
BCHE P06276 1/20 0.49
CYP3A4 P08684 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
AKR1C3 P42330 1/20 0.47
THRB P10828 1/20 0.47
ATM Q13315 1/20 0.47
HDAC3 O15379 1/20 0.47

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
SCHEMBL1711041 0.85 SRD5A2 (0.84) KMT2AALDH1A1LMNASRD5A2MEN1
SCHEMBL1006525 0.85 SRD5A2 (0.84) KMT2AALDH1A1LMNASRD5A2MEN1
SCHEMBL4619227 0.85 ALOX5 (0.65) KMT2AALDH1A1SRD5A2MEN1NPC1
SCHEMBL9864003 0.84 CYP1A2 (0.56) KMT2AALDH1A1LMNASRD5A2MEN1
SCHEMBL9864946 0.84 MAOB (0.54) KMT2AALDH1A1LMNASRD5A2MEN1
Methane SCHEMBL9562938 0.84 SRD5A2 (0.81) KMT2AALDH1A1LMNASRD5A2MEN1
SCHEMBL27680047 0.83 MAPT (0.61) ALDH1A1LMNANPC1RAB9ABCHE
SCHEMBL28087042 0.83 MAPT (0.61) ALDH1A1LMNANPC1RAB9ABCHE
SCHEMBL649508 0.82 MAPT (0.67) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL20303734 0.82 MAPT (0.67) KMT2AALDH1A1LMNAMEN1NPC1

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-0409565-A1 Rubber composition useful for tires SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-23 EP disclosed