SCHEMBL7659535

SCHEMBL7659535

O=C1OCc2c1cc1ccc(Cl)cc1c2-c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.62
TOP2A P11388 1/20 0.48
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE1C Q14123 1/20 0.46
PDE3A Q14432 1/20 0.46
ESRRB O95718 1/20 0.40
ESRRA P11474 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL9301872 0.82 ALOX5 (0.56) ALOX5TOP2AESRRBESRRA
SCHEMBL8081262 0.81 ALOX5 (0.62) ALOX5TOP2APDE1APDE1BPDE3B
SCHEMBL16272594 0.77 ALOX5 (1.00) ALOX5TOP2APDE1APDE1BPDE3B
SCHEMBL7656932 0.76 ALOX5 (0.54) ALOX5TOP2A
SCHEMBL7651428 0.75 ALOX5 (0.50) ALOX5MAOAMAOBCA12CA1
SCHEMBL29582148 0.71 ALOX5 (1.00) ALOX5TOP2APDE1APDE1BPDE3B
SCHEMBL30637547 0.71 ALOX5 (1.00) ALOX5TOP2APDE1APDE1BPDE3B
SCHEMBL7659399 0.71 ALOX5 (1.00) ALOX5TOP2APDE1APDE1BPDE3B
SCHEMBL9125611 0.69 ALOX5 (0.56) ALOX5TOP2A
SCHEMBL38656885 0.69 ALOX5 (0.72) ALOX5

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