SCHEMBL8409254

SCHEMBL8409254

COC(=O)c1ccc(COc2ccc(CC#N)cc2CCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
TP53 P04637 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
CKS1B P61024 1/20 0.47
SKP2 Q13309 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 3/20 0.46
ABCB1 P08183 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL8406793 0.89 PTGER1 (0.58) HPGDSMN1; SMN2RAB9APTGER1PTGER4
SCHEMBL8409628 0.87 MRGPRX4 (0.57) HPGDTP53CYP1A2CYP3A4CYP2C9
SCHEMBL8406701 0.87 HPGD (0.51) HPGDTP53CYP1A2CYP3A4CYP2C9
SCHEMBL8406894 0.86 HPGD (0.50) HPGDTP53CYP1A2CYP3A4CYP2C9
SCHEMBL8408175 0.85 HPGD (0.56) HPGDTP53CYP1A2CYP3A4CYP2C9
SCHEMBL8409537 0.84 CCR5 (0.53) HPGDTP53CYP1A2CYP3A4CYP2C9
SCHEMBL8324940 0.84 CCR5 (0.53) HPGDTP53CYP1A2CYP3A4CYP2C9
SCHEMBL8406671 0.83 HTR1A (0.66) HPGDTP53CYP1A2CYP3A4CYP2C9
SCHEMBL8408260 0.82 HPGD (0.46) HPGDTP53CYP1A2CYP3A4CYP2C9
SCHEMBL8409731 0.82 SMN1; SMN2 (0.51) HPGDTP53CYP1A2CYP3A4CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 WO disclosed