SCHEMBL8522681

SCHEMBL8522681

O=C(O)Cc1ccc(C/C=C/c2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.58
PTGER2 P43116 7/20 0.58
PTGER3 P43115 6/20 0.58
PTGER1 P34995 5/20 0.58
CCNB2 O95067 1/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
CCND1 P24385 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45

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
SCHEMBL8522682 1.00 PTGER4 (0.58) PTGER4PTGER2PTGER3PTGER1CCNB2
SCHEMBL8710177 0.87 CCNB2 (0.66) PTGER4PTGER2PTGER3PTGER1CCNB2
SCHEMBL8710180 0.87 CCNB2 (0.66) PTGER4PTGER2PTGER3PTGER1CCNB2
SCHEMBL8523359 0.83 KMT2A (0.62) PTGER4PTGER2PTGER3PTGER1CCNB2
SCHEMBL8523361 0.83 KMT2A (0.62) PTGER4PTGER2PTGER3PTGER1CCNB2
SCHEMBL8462141 0.77 NFKB1 (0.49) CDK4CCND1POLBBLMTDP1
SCHEMBL9857489 0.77 CCNB2 (0.64) PTGER4PTGER2PTGER3PTGER1CCNB2
SCHEMBL9857485 0.77 CCNB2 (0.64) PTGER4PTGER2PTGER3PTGER1CCNB2
SCHEMBL7798321 0.77 PTGER4 (0.78) PTGER4PTGER2PTGER3PTGER1CCNB2
SCHEMBL7798324 0.77 PTGER4 (0.78) PTGER4PTGER2PTGER3PTGER1CCNB2

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
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed