SCHEMBL397007

SCHEMBL397007

CCCCNS(=O)(=O)c1cccc(C=C(C)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
EPHX2 P34913 1/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
ATM Q13315 1/20 0.45
FBP1 P09467 1/20 0.44
AKR1C3 P42330 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TBXA2R P21731 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL397006 1.00 ALDH1A1 (0.49) ALDH1A1EPHX2TSHRCA12CA9
SCHEMBL397723 0.93 ATM (0.47) ALDH1A1EPHX2CA12CA9ATM
SCHEMBL397722 0.93 ATM (0.47) ALDH1A1EPHX2CA12CA9ATM
SCHEMBL392886 0.87 AKR1C3 (0.49) ALDH1A1TSHRATMAKR1C3PIK3CA
SCHEMBL392887 0.87 AKR1C3 (0.49) ALDH1A1TSHRATMAKR1C3PIK3CA
SCHEMBL397043 0.85 ALDH1A1 (0.48) ALDH1A1EPHX2TSHRCA12CA9
SCHEMBL397042 0.85 ALDH1A1 (0.48) ALDH1A1EPHX2TSHRCA12CA9
SCHEMBL396715 0.81 AKR1C3 (0.45) ALDH1A1ATMAKR1C3PIK3CACYP2C19
SCHEMBL396714 0.81 AKR1C3 (0.45) ALDH1A1ATMAKR1C3PIK3CACYP2C19
SCHEMBL398494 0.80 AKR1C3 (0.53) AKR1C3PIK3CALMNAHDAC3HDAC4

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 3 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
EP-2105298-A1 Negative-working lithographic printing plate precursor and method of lithographic printing using same Fujifilm Corporation (JP) 2009-09-30 EP disclosed