SCHEMBL3206300

SCHEMBL3206300

Oc1cc(O)cc([S+](c2ccccc2)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA1 P00915 2/20 0.41
GLA P06280 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BACE1 P56817 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CA5A P35218 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ABL1 P00519 2/20 0.37
ABCB1 P08183 2/20 0.37
BCR P11274 2/20 0.37
MMP3 P08254 1/20 0.35

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
SCHEMBL3203535 0.85 ALDH1A1 (0.46) CA12CA2CA9CA14CA1
SCHEMBL12345915 0.83 CA12 (0.50) CA12CA2CA9CA14CA1
SCHEMBL12345916 0.83 CA12 (0.50) CA12CA2CA9CA14CA1
Phenol SCHEMBL8331182 0.81 CA12 (0.65) CA12CA2CA9CA14CA1
SCHEMBL12762108 0.81 ALDH1A1 (0.33) CA12CA2CA9CA14CA1
SCHEMBL3197474 0.80 CYP3A4 (0.53) CA4BACE1ALDH1A1LMNACYP3A4
SCHEMBL502108 0.79 CA12 (0.53) CA12CA2CA9CA14CA1
SCHEMBL158163 0.79 CA12 (0.53) CA12CA2CA9CA14CA1
SCHEMBL12345911 0.78 CA12 (0.46) CA12CA2CA9CA14CA1
SCHEMBL3188828 0.78 CYP3A4 (0.36) BACE1ALDH1A1CYP3A4HSD17B10ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed