SCHEMBL8324470

SCHEMBL8324470

O=C(O)c1ccc(CCc2cc(Br)ccc2OCc2ccccc2)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.48
CYP1A2 P05177 1/20 0.47
USP28 Q96RU2 1/20 0.47
USP25 Q9UHP3 1/20 0.47
HTT P42858 1/20 0.46
FOLH1 Q04609 1/20 0.46
CCR5 P51681 2/20 0.45
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL8321520 0.87 CCR5 (0.46) PTGER1CYP1A2USP28USP25HTT
SCHEMBL8326795 0.87 HTR1A (0.54) PTGER1HTTFOLH1ALDH1A1
SCHEMBL8319969 0.86 USP28 (0.53) PTGER1USP28USP25HTTCCR5
SCHEMBL9057884 0.85 CCR5 (0.42) PTGER1CYP1A2USP28USP25HTT
SCHEMBL8324638 0.85 MRGPRX4 (0.44) PTGER1FOLH1
SCHEMBL27405520 0.81 USP28 (0.53) PTGER1CYP1A2USP28USP25HTT
SCHEMBL8162287 0.80 PTGER1 (0.48) PTGER1CYP1A2USP28USP25HTT
SCHEMBL8321056 0.79 FOLH1 (0.51) PTGER1CYP1A2USP28USP25HTT
SCHEMBL8677627 0.77 PTGER1 (0.49) PTGER1CYP1A2USP28USP25HTT
SCHEMBL8324067 0.77 ABCB1 (0.53) PTGER1CYP1A2FOLH1CCR5

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