SCHEMBL8406433

SCHEMBL8406433

COC(=O)c1ccc(COc2cc(OC(=O)C(C)(C)C)ccc2CCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.48
HPGD P15428 2/20 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
TP53 P04637 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
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 4/20 0.44
ELANE P08246 3/20 0.44

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
SCHEMBL8406635 0.81 RAB9A (0.45) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8406671 0.80 HTR1A (0.66) ABCB1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL8322379 0.78 PTGER1 (0.52) KMT2AELANELMNATDP1PTGER1
SCHEMBL9059843 0.77 PTGER1 (0.64) ELANEPTGER1PTGER4PTGER3PTGER2
SCHEMBL8406455 0.77 ELANE (0.48) ELANEL3MBTL1POLBTDP1
SCHEMBL8409639 0.76 HPGD (0.47) ABCB1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL8408175 0.76 HPGD (0.56) ABCB1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL8406701 0.76 HPGD (0.51) ABCB1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL8324940 0.75 CCR5 (0.53) ABCB1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL8406894 0.75 HPGD (0.50) ABCB1HPGDCYP1A2CYP3A4CYP2C9

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