SCHEMBL7942370

SCHEMBL7942370

COc1c(C)cc(CNCCO)cc1C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.61
SCN2A Q99250 2/20 0.48
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 1/20 0.40
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 2/20 0.37
S1PR2 O95136 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
LPAR2 Q9HBW0 2/20 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
SCHEMBL7942257 0.91 GSR (0.69) GSRSCN2AKMT2ACYP1A2CYP2D6
SCHEMBL7942423 0.81 GSR (0.82) GSRSCN2AKMT2ACYP1A2CYP2D6
SCHEMBL6123649 0.80 DHFR (0.40) GSRSCN2AKMT2AKDM4EALDH1A1
SCHEMBL6567280 0.80 DHFR (0.37) GSRSCN2AKMT2ACYP1A2CYP2C9
SCHEMBL6123748 0.78 TNKS2 (0.44) GSRSCN2AALDH1A1CYP3A4
SCHEMBL7933672 0.78 TNKS2 (0.41) GSRSCN2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7942407 0.77 KMT2A (0.51) GSRSCN2AKMT2ACYP1A2CYP2D6
SCHEMBL7933373 0.77 GSR (1.00) GSRSCN2AKMT2ACYP1A2CYP2D6
SCHEMBL8397543 0.75 ALDH1A1 (0.35) GSRSCN2AKMT2ACYP1A2CYP2C9
SCHEMBL7943169 0.75 GSR (0.59) GSRKMT2ARECQLSMN1; SMN2PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed