SCHEMBL8323822

SCHEMBL8323822

COC(=O)c1ccc(C=Cc2cc(Cl)ccc2OCc2ccccc2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.53
HDAC8 Q9BY41 3/20 0.52
SMPD1 P17405 3/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGER1 P34995 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 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
SCHEMBL8323817 1.00 MRGPRX4 (0.53) MRGPRX4HDAC8SMPD1HDAC1HDAC6
SCHEMBL8323794 0.89 MEN1 (0.57) MRGPRX4HDAC8SMPD1HDAC1HDAC6
SCHEMBL8323795 0.89 MEN1 (0.57) MRGPRX4HDAC8SMPD1HDAC1HDAC6
SCHEMBL8408179 0.81 HDAC1 (0.53) HDAC8SMPD1HDAC1HDAC6SMN1; SMN2
SCHEMBL2188210 0.81 SMPD1 (0.76) MRGPRX4HDAC8SMPD1HDAC1HDAC6
SCHEMBL2063068 0.81 SMN1; SMN2 (0.73) MRGPRX4HDAC8SMPD1HDAC1HDAC6
SCHEMBL8322902 0.80 RXRA (0.61) MRGPRX4HDAC8SMPD1HDAC1HDAC6
SCHEMBL8322900 0.80 RXRA (0.61) MRGPRX4HDAC8SMPD1HDAC1HDAC6
SCHEMBL13236558 0.80 LMNA (0.53) HDAC8SMPD1HDAC1HDAC6SMN1; SMN2
SCHEMBL8321308 0.79 LMNA (0.60) HDAC8SMN1; SMN2HPGDNPC1RAB9A

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 3 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
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed