SCHEMBL7651428

SCHEMBL7651428

O=C1OC(=O)c2c1cc1ccc(Cl)cc1c2-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA12 O43570 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA13 Q8N1Q1 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
GPR84 Q9NQS5 1/20 0.41
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
MIF P14174 1/20 0.38
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4960194 0.79 CHEK1 (0.40) ALOX5CA1CA2CA12CA3
SCHEMBL8080776 0.79 ALOX5 (0.50) ALOX5GPR84KDM4EMIFADORA3
SCHEMBL7659535 0.75 ALOX5 (0.62) ALOX5CA1CA2CA12CA3
SCHEMBL8545939 0.75 TYMS (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4961100 0.74 KDM4E (0.40) CA1CA2CA12CA7CA9
SCHEMBL30817881 0.74 ALOX5 (0.56) ALOX5GPR84KMT2AKDM4EMEN1
SCHEMBL1270411 0.74 ALOX5 (0.56) ALOX5GPR84KMT2AKDM4EMEN1
SCHEMBL7120677 0.68 CA1 (0.60) CA1CA2CA12CA3CA4
SCHEMBL11545843 0.68 GPR84 (0.40) GPR84KMT2AKDM4EMEN1CYP1A2
SCHEMBL14916884 0.68 FABP4 (0.51) CA1CA2KMT2AKDM4EMEN1

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
US-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
EP-0975621-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998049155-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed