SCHEMBL7668274

SCHEMBL7668274

O=Cc1c(Cl)ccc(C2OCCO2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3339566 0.83 MEN1 (0.33) ALDH1A1MEN1KMT2ATDP1RAB9A
SCHEMBL19136372 0.72 ALDH1A3 (0.37) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL2794457 0.71 CXCR2 (0.31) NPC1RAB9A
SCHEMBL189622 0.70 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATDP1
SCHEMBL9431365 0.69 POLB (0.35) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL7660116 0.69 NOTUM (0.36) NPC1RAB9A
SCHEMBL3339081 0.68 NPC1 (0.31) NPC1RAB9A
SCHEMBL3339084 0.68 NPC1 (0.31) NPC1RAB9A
SCHEMBL7656482 0.67 NPC1 (0.31) NPC1RAB9A
SCHEMBL30600426 0.67 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ATDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed