SCHEMBL396113

SCHEMBL396113

CCS(=O)(=O)Nc1ccccc1/C=C(\C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.47
AKR1C3 P42330 1/20 0.45
KCNA5 P22460 1/20 0.44
HPGD P15428 3/20 0.43
LMNA P02545 1/20 0.43
NR3C1 P04150 1/20 0.40
APEX1 P27695 7/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NR3C2 P08235 1/20 0.37
CYP2C9 P11712 1/20 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
SCHEMBL396115 1.00 PSIP1 (0.47) PSIP1AKR1C3KCNA5HPGDLMNA
SCHEMBL398055 0.85 KMT2A (0.49) AKR1C3HPGDNR3C1APEX1KDM4E
SCHEMBL398053 0.85 KMT2A (0.49) AKR1C3HPGDNR3C1APEX1KDM4E
SCHEMBL398530 0.82 CYP2C9 (0.51) LMNAMEN1ALDH1A1GAAKMT2A
SCHEMBL398528 0.82 CYP2C9 (0.51) LMNAMEN1ALDH1A1GAAKMT2A
SCHEMBL439384 0.80 AKR1C3 (0.49) AKR1C3HPGDAPEX1KDM4EALDH1A1
SCHEMBL2046747 0.80 AKR1C3 (0.49) AKR1C3HPGDAPEX1KDM4EALDH1A1
SCHEMBL396512 0.78 CYP2C9 (0.64) KCNA5LMNAKDM4EALDH1A1GAA
SCHEMBL396511 0.78 CYP2C9 (0.64) KCNA5LMNAKDM4EALDH1A1GAA
SCHEMBL23638096 0.78 AKR1C3 (0.53) AKR1C3HPGDAPEX1KDM4EALDH1A1

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