SCHEMBL8409579

SCHEMBL8409579

COC(=O)c1ccc(COc2ccc(CS(=O)(=O)c3ccccc3)cc2CCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
LMNA P02545 5/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CKS1B P61024 1/20 0.46
SKP2 Q13309 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MTNR1B P49286 2/20 0.45
MTNR1A P48039 1/20 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
SCHEMBL8406701 0.85 HPGD (0.51) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL8406894 0.84 HPGD (0.50) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL8323265 0.84 PTGER1 (0.55) MAPTLMNAMEN1GAAKMT2A
SCHEMBL8408175 0.83 HPGD (0.56) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL8409584 0.83 MAPT (0.48) MAPTLMNAMEN1GAAKMT2A
SCHEMBL8324940 0.82 CCR5 (0.53) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL8409537 0.82 CCR5 (0.53) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL8409254 0.81 HPGD (0.47) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL8406671 0.81 HTR1A (0.66) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL8408260 0.80 HPGD (0.46) MAPTLMNAMEN1KMT2ACYP1A2

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-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