SCHEMBL8323275

SCHEMBL8323275

O=C(Cl)/C=C/c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
USP2 O75604 1/20 0.57
CCR5 P51681 4/20 0.55
PTGER1 P34995 4/20 0.53
PTGER4 P35408 3/20 0.53
PTGER3 P43115 3/20 0.53
PTGER2 P43116 3/20 0.53
PTPN1 P18031 1/20 0.52
PTP4A3 O75365 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
LRRK2 Q5S007 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 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
SCHEMBL8323284 1.00 LMNA (0.57) LMNAUSP2CCR5PTGER1PTGER4
SCHEMBL2167875 0.90 PTGER4 (0.67) LMNAUSP2CCR5PTGER1PTGER4
SCHEMBL2167870 0.90 PTGER4 (0.67) LMNAUSP2CCR5PTGER1PTGER4
SCHEMBL19813850 0.87 CCR5 (0.61) LMNAUSP2CCR5PTGER1PTGER4
SCHEMBL27919653 0.84 PTGER4 (0.74) LMNAPTGER1PTGER4PTGER3PTGER2
SCHEMBL12018748 0.80 CDK4 (0.71) LMNAUSP2CCR5PTGER1PTGER4
SCHEMBL8409659 0.80 CCR5 (0.57) LMNAUSP2CCR5PTPN1PTP4A3
SCHEMBL8409657 0.80 CCR5 (0.57) LMNAUSP2CCR5PTPN1PTP4A3
SCHEMBL82269 0.79 PTGDR2 (0.61) LMNAUSP2CCR5PTPN1PTP4A3
SCHEMBL29690396 0.79 PTGDR2 (0.61) LMNAUSP2CCR5PTPN1PTP4A3

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-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
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed