SCHEMBL395829

SCHEMBL395829

C=C(Cc1cccc(S(=O)(=O)NC(C)CC)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ADAMTS4 O75173 2/20 0.41
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL397228 0.85 SMN1; SMN2 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL392888 0.82 ALDH1A1 (0.45) ALDH1A1CYP2C19LMNAHTT
SCHEMBL398496 0.82 POLB (0.44) SMN1; SMN2L3MBTL1LMNAHTTPOLB
SCHEMBL397724 0.80 AKR1C3 (0.48) ALDH1A1CYP2C19NPSR1HTTCA12
SCHEMBL398535 0.79 KDM4E (0.52) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL397008 0.78 ALDH1A1 (0.49) ALDH1A1CYP2C19SMN1; SMN2LMNACA12
SCHEMBL1016312 0.78 CYP2C19 (0.57) CYP2C19SMN1; SMN2CA1CA2
SCHEMBL17094951 0.78 CYP2C19 (0.57) CYP2C19SMN1; SMN2CA1CA2
SCHEMBL397556 0.77 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL396990 0.77 HTR6 (0.59) ALDH1A1POLB

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-8101332-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
US-20090246688-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed