SCHEMBL3203535

SCHEMBL3203535

Cc1cc(O)cc([S+](c2ccccc2)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ACHE P22303 3/20 0.40
HCAR1 Q9BXC0 1/20 0.39
ESR2 Q92731 2/20 0.33
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL134576 0.85 ACHE (0.41) ALDH1A1ACHELMNATDP1TSHR
SCHEMBL3193994 0.85 ACHE (0.41) ALDH1A1ACHELMNATDP1TSHR
SCHEMBL3206300 0.85 CA12 (0.41) ALDH1A1ESR2LMNACA12CA1
SCHEMBL3197474 0.76 CYP3A4 (0.53) ALDH1A1LMNACA4TSHRALOX12
SCHEMBL98390 0.75 PTGS1 (0.48) ALDH1A1ESR2LMNACA1CA2
SCHEMBL424809 0.74 ACHE (0.50) ALDH1A1ACHELMNATDP1TSHR
SCHEMBL12345915 0.74 CA12 (0.50) ALDH1A1ACHEESR2LMNACA12
SCHEMBL12345916 0.74 CA12 (0.50) ALDH1A1ACHEESR2LMNACA12
Hydrochloric Acid SCHEMBL29730033 0.73 PTGS1 (0.47) ALDH1A1ESR2LMNACA1CA2
Iodide SCHEMBL5145573 0.73 PTGS1 (0.47) ALDH1A1ESR2LMNACA1CA2

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