SCHEMBL8324992

SCHEMBL8324992

COC(=O)c1ccc(CCc2cc(Br)ccc2OCc2ccccc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.48
PTGER1 P34995 8/20 0.48
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 2/20 0.47
USP28 Q96RU2 1/20 0.47
USP25 Q9UHP3 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 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
SCHEMBL8409906 0.92 CCR6 (0.44) CCR5PTGER1CYP1A2ALDH1A1USP28
SCHEMBL8325607 0.87 PTGER1 (0.52) PTGER1RAB9ALMNAHPGD
SCHEMBL8409537 0.86 CCR5 (0.53) CCR5PTGER1CYP1A2ALDH1A1USP28
SCHEMBL8324940 0.86 CCR5 (0.53) CCR5PTGER1CYP1A2ALDH1A1USP28
SCHEMBL8327306 0.86 GCK (0.53) PTGER1CYP1A2RAB9ALMNAHTT
SCHEMBL8326786 0.85 PTGER1 (0.42) PTGER1CYP1A2RAB9ALMNASMPD1
SCHEMBL7662467 0.82 CCR5 (0.45) CCR5PTGER1CYP1A2ALDH1A1USP28
SCHEMBL8318734 0.82 PTGER1 (0.58) CCR5PTGER1CYP1A2ALDH1A1USP28
SCHEMBL8323808 0.82 CCR5 (0.47) CCR5PTGER1CYP1A2ALDH1A1USP28
SCHEMBL8326037 0.81 CCR5 (0.46) CCR5PTGER1CYP1A2ALDH1A1USP28

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