SCHEMBL2178454

SCHEMBL2178454

Cc1cc(-c2ccc(Cl)cc2-c2nnn[nH]2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CA2 P00918 1/20 0.40
POLB P06746 1/20 0.40
TYR P14679 1/20 0.40
HSPA5 P11021 1/20 0.35
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
HIF1A Q16665 3/20 0.34
IDO1 P14902 2/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALPL P05186 1/20 0.31
AMY1A P0DUB6 1/20 0.30
HSD11B1 P28845 1/20 0.30
PIM1 P11309 1/20 0.30
TP53 P04637 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL808957 0.81 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL30162803 0.73 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL1197908 0.72 NOTUM (0.45) POLBIDO1HSD11B1
SCHEMBL31087427 0.71 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3675073 0.71 HSP90AA1 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4886301 0.71 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL30782815 0.71 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3672236 0.70 CA2 (0.55) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL8669592 0.70 AMY1A (0.49) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL27817342 0.70 ALOX5AP (0.32) CA2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964871-B1 THERMOPLASTIC POLYESTER ELASTOMER, THERMOPLASTIC POLYESTER ELASTOMER COMPOSITION, AND METHOD FOR PRODUCTION OF THERMOPLASTIC POLYESTER ELASTOMER TOYO BOSEKI (JP) 2013-03-27 EP disclosed
US-8030417-B2 Process for producing polyester-polycarbonate type thermoplastic polyester elastomer and polyester-polycarbonate type thermoplastic polyester elastomer TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-10-04 US disclosed
US-7973124-B2 Method for producing thermoplastic polyester elastomer, thermoplastic polyester elastomer composition, and thermoplastic polyester elastomer TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-07-05 US disclosed
US-20100041858-A1 PROCESS FOR PRODUCING POLYESTER-POLYCARBONATE TYPE THERMOPLASTIC POLYESTER ELASTOMER AND POLYESTER-POLYCARBONATE TYPE THERMOPLASTIC POLYESTER ELASTOMER TOYO BOSEKI KABUSHIKI KAISHA (JP) 2010-02-18 US disclosed
US-20090203871-A1 METHOD FOR PRODUCING THERMOPLASTIC POLYESTER ELASTOMER, THERMOPLASTIC POLYESTER ELASTOMER COMPOSITION, AND THERMOPLASTIC POLYESTER ELASTOMER TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-08-13 US disclosed
EP-1964871-A1 THERMOPLASTIC POLYESTER ELASTOMER, THERMOPLASTIC POLYESTER ELASTOMER COMPOSITION, AND METHOD FOR PRODUCTION OF THERMOPLASTIC POLYESTER ELASTOMER Toyo Boseki Kabushiki Kasisha (JP) 2008-09-03 EP disclosed