SCHEMBL397624

SCHEMBL397624

C=C(Cc1ccccc1S(=O)(=O)Nc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
PTK2B Q14289 1/20 0.43
IL1RN P18510 1/20 0.42
KEAP1 Q14145 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
CCR8 P51685 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40

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
SCHEMBL393613 0.85 CYP1A2 (0.44) TSHRCA12CA9MMP2MMP13
SCHEMBL396300 0.81 CA12 (0.47) ALDH1A1POLBCA12CA9KMT2A
SCHEMBL396805 0.79 CA12 (0.58) ALDH1A1POLBCA12CA9RECQL
SCHEMBL392892 0.78 CA1 (0.44) CA12CA9MMP2MMP13MMP1
SCHEMBL397450 0.77 CA12 (0.60) ALDH1A1POLBTSHRMAPTPKM
SCHEMBL396740 0.77 HDAC1 (0.59) ALDH1A1IL1RNKEAP1ERAP1PKM
SCHEMBL8746636 0.75 AKR1B1 (0.46) ALDH1A1POLBTSHRMAPTCYP3A4
SCHEMBL397253 0.75 PTGDR2 (0.46) ALDH1A1POLBMMP2MMP13MMP1
SCHEMBL397676 0.73 HDAC1 (0.68) ALDH1A1POLBIL1RNKEAP1ERAP1
Benzoic Acid SCHEMBL28546974 0.73 TSHR (0.55) ALDH1A1PTK2BTSHRMAPTCCR8

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