SCHEMBL8388677

SCHEMBL8388677

Nc1ccc(C=CC(=O)O)c(CCCl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
EGFR P00533 1/20 0.42
PTGER3 P43115 8/20 0.42
PTGER2 P43116 7/20 0.42
PTGDR Q13258 5/20 0.42
TBXA2R P21731 4/20 0.42
PTGER4 P35408 4/20 0.42
PTGFR P43088 3/20 0.42
PTGER1 P34995 3/20 0.42
PTGIR P43119 2/20 0.42
MIF P14174 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NFKB1 P19838 1/20 0.38
CA4 P22748 1/20 0.38
EIF2AK2 P19525 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10865615 0.87 NPSR1 (0.47) NPSR1EGFRPTGER3PTGER2PTGDR
SCHEMBL3930354 0.84 MIF (0.55) EGFRPTGER3PTGER2PTGDRTBXA2R
SCHEMBL1174440 0.82 NPSR1 (0.49) NPSR1EGFRPTGER3PTGER2PTGDR
SCHEMBL1174443 0.82 NPSR1 (0.49) NPSR1EGFRPTGER3PTGER2PTGDR
SCHEMBL11791639 0.81 ATG4B (0.43) NPSR1SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL11791653 0.81 ATG4B (0.43) NPSR1SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL11791976 0.80 ATG4B (0.45)
SCHEMBL11791982 0.80 ATG4B (0.45)
SCHEMBL10351248 0.79 PTGER3 (0.58) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL10906979 0.78 NPSR1 (0.42) NPSR1EGFRPTGER3PTGER2PTGDR

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
CN-1089755-C Distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN SPA (IT) 2002-08-28 CN disclosed
CN-1222144-A Distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN SPA (IT) 1999-07-07 CN disclosed
EP-0912509-A1 DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1999-05-06 EP disclosed
WO-1997043258-A1 DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1997-11-20 WO disclosed