SCHEMBL16708705

SCHEMBL16708705

CC1=CC(=O)N(CC2CO2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
HBB P68871 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DHFR P00374 1/20 0.37
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
CASP3 P42574 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 2/20 0.30
RECQL P46063 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
SCHEMBL17983075 0.83 TP53 (0.33) TP53HBBSMN1; SMN2CASP7CASP3
SCHEMBL17983023 0.80 CYP1A2 (0.35) TP53HBBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL19834312 0.80 TP53 (0.45) TP53HBBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL19834258 0.79 TP53 (0.44) TP53HBBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL22252309 0.78 ALDH1A1 (0.32) CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL960179 0.76 ALDH1A1 (0.46) TP53HBBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL17983140 0.75
SCHEMBL10934374 0.75 TP53 (0.52) TP53HBBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL17983266 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL17983036 0.73

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
US-9540463-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2017-01-10 US claimed
US-20160237186-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2016-08-18 US claimed
US-9540463-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2017-01-10 US disclosed
US-20160237186-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2016-08-18 US disclosed
US-20150132544-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed
US-20150132544-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed