SCHEMBL8323794

SCHEMBL8323794

COC(=O)c1ccc(/C=C/c2ccccc2OCc2ccccc2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 2/20 0.57
PKM P14618 1/20 0.57
BLM P54132 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PTGER1 P34995 1/20 0.56
PTGER4 P35408 1/20 0.56
PTGER3 P43115 1/20 0.56
PTGER2 P43116 1/20 0.56
HDAC8 Q9BY41 2/20 0.55
SMPD1 P17405 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 2/20 0.53

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
SCHEMBL8323795 1.00 MEN1 (0.57) MEN1KMT2APOLBPKMBLM
SCHEMBL8322902 0.90 RXRA (0.61) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL8322900 0.90 RXRA (0.61) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL8321304 0.89 LMNA (0.60) MEN1KMT2APOLBPKMBLM
SCHEMBL8321308 0.89 LMNA (0.60) MEN1KMT2APOLBPKMBLM
SCHEMBL8323817 0.89 MRGPRX4 (0.53) MEN1KMT2APOLBPKMBLM
SCHEMBL8323822 0.89 MRGPRX4 (0.53) MEN1KMT2APOLBPKMBLM
SCHEMBL8680186 0.88 MEN1 (0.55) MEN1KMT2APOLBPKMBLM
SCHEMBL8327237 0.88 MEN1 (0.55) MEN1KMT2APOLBPKMBLM
SCHEMBL8323676 0.88 KMT2A (0.55) MEN1KMT2APOLBPKMBLM

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
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed