SCHEMBL9667183

SCHEMBL9667183

Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)C(c1ccc(C(C)C)cc1)C(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
GSTO1 P78417 1/20 0.41
TLR4 O00206 1/20 0.36
USP5 P45974 1/20 0.36
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4038640 0.79 NFE2L2 (0.31)
SCHEMBL2911666 0.77 EDNRA (0.35) SMN1; SMN2
SCHEMBL2912112 0.76 GLRA1 (0.32) PTPN1POLB
SCHEMBL4092709 0.76 TP53 (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL2909214 0.75 SCN8A (0.30)
SCHEMBL2908212 0.75 ACHE (0.32) RAB9A
SCHEMBL2910809 0.74 MAPT (0.39) NPC1RAB9ASMN1; SMN2
SCHEMBL2910922 0.74 TDP2 (0.34) NPC1RAB9ASMN1; SMN2
SCHEMBL2912111 0.74
SCHEMBL2913727 0.73 CACNA1B (0.31)

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
EP-0273647-B1 COUMARAN DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-03-11 EP disclosed
US-4857516-A Coumaran derivatives and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-15 US disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP disclosed