SCHEMBL397008

SCHEMBL397008

C=C(Cc1cccc(S(=O)(=O)NCCCC)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
AKR1C3 P42330 4/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
FBP1 P09467 1/20 0.44
EPHX2 P34913 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
PRMT1 Q99873 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL397724 0.93 AKR1C3 (0.48) ALDH1A1AKR1C3CA12CA9HDAC2
SCHEMBL392888 0.87 ALDH1A1 (0.45) ALDH1A1AKR1C3HDAC2HDAC8HDAC6
SCHEMBL397044 0.85 LMNA (0.56) ALDH1A1TSHRCA12CA9EPHX2
SCHEMBL398496 0.82 POLB (0.44) AKR1C3FBP1HDAC2HDAC8HDAC6
SCHEMBL398535 0.81 KDM4E (0.52) ALDH1A1AKR1C3HDAC2HDAC8HDAC6
SCHEMBL3050973 0.80 ALDH1A1 (0.56) ALDH1A1AKR1C3TSHRFBP1KMT2A
SCHEMBL18151701 0.79 AKR1C3 (0.52) ALDH1A1AKR1C3CA12CA9HDAC2
SCHEMBL395829 0.78 ALDH1A1 (0.45) ALDH1A1CA12CA9CYP2C19LMNA
Methacrylic Acid SCHEMBL27492983 0.78 ALDH1A1 (0.61) ALDH1A1TSHRCA12CA9EPHX2
SCHEMBL396990 0.77 HTR6 (0.59) ALDH1A1HDAC2HDAC8HDAC6KMT2A

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