SCHEMBL2887913

SCHEMBL2887913

O=C(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
GAA P10253 2/20 0.40
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
CYP17A1 P05093 2/20 0.37
CYP19A1 P11511 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GABBR2 O75899 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
SCHEMBL515758 0.93 ALDH1A1 (0.39) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL4273107 0.86 ALDH1A1 (0.39) ALDH1A1GAARECQLKMT2ACYP17A1
SCHEMBL544306 0.83 ALDH1A1 (0.43) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL1771529 0.82 ALDH1A1 (0.39) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL3454497 0.82 ALDH1A1 (0.45) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL3454541 0.80 ALDH1A1 (0.43) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL31206130 0.80 ALDH1A1 (0.40) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL1656674 0.79 TDP1 (0.44) ALDH1A1KMT2ASMN1; SMN2LMNACYP1A2
SCHEMBL2887917 0.78 ALDH1A1 (0.45) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL9894463 0.78 RECQL (0.44) ALDH1A1GAARECQLKMT2ASMN1; SMN2

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-8431324-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2013-04-30 US disclosed
US-20100285405-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-11-11 US disclosed