SCHEMBL8057397

SCHEMBL8057397

O=S(=O)(CCOc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TP53 P04637 1/20 0.53
KCNA3 P22001 1/20 0.52
MMP3 P08254 2/20 0.49
MMP1 P03956 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
PSIP1 O75475 1/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
RECQL P46063 1/20 0.47
HSD11B1 P28845 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
TXNRD1 Q16881 1/20 0.45

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
SCHEMBL11308559 0.88 RAB9A (0.53) ALDH1A1TP53MMP3MMP1MMP8
SCHEMBL11909807 0.87 KCNA3 (0.57) ALDH1A1KCNA3MMP3MMP1MMP8
SCHEMBL11313251 0.82 DRD2 (0.56) ALDH1A1MEN1HTTKMT2AHSD11B1
SCHEMBL10535933 0.81 ALDH1A1 (0.42) ALDH1A1TP53KCNA3MMP3MMP1
SCHEMBL6915896 0.79 PSIP1 (0.52) ALDH1A1KCNA3MMP3MMP1MMP8
SCHEMBL777601 0.78 PSIP1 (0.67) ALDH1A1MMP3MMP8MMP13PSIP1
SCHEMBL5983609 0.78 KCNA3 (0.54) ALDH1A1TP53KCNA3TAAR1RECQL
SCHEMBL4639243 0.78 KCNA3 (0.54) ALDH1A1TP53KCNA3TAAR1RECQL
SCHEMBL16479238 0.78 KCNA3 (0.54) ALDH1A1TP53KCNA3MEN1HTT
SCHEMBL5859628 0.78 PSIP1 (0.56) ALDH1A1MMP3MMP1MMP8MMP13

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
US-6051605-A TREATING PSYCHOSIS AND SCHIZOPHRENIA USING A COMPOUND THAT IS AN ANTAGONIST OF DOPAMINE D4 RECEPTORS WARNER-LAMBERT COMPANY (US) 2000-04-18 US disclosed