SCHEMBL7044543

SCHEMBL7044543

Cc1ccc(C)c([S+]([O-])c2cc(C)ccc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 4/20 0.38
CYP2A6 P11509 4/20 0.38
TP53 P04637 2/20 0.37
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
RAPGEF4 Q8WZA2 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 3/20 0.33
CYP3A4 P08684 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL18738928 0.83 TDP1 (0.41) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL4403212 0.80 TDP1 (0.32) TDP1ALDH1A1CYP2A6LMNAACHE
SCHEMBL360036 0.80 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL30899314 0.80 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL3183466 0.79 TDP1 (0.46) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL4401227 0.76 RAB9A (0.33) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL9296266 0.76 TRPA1 (0.52) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL11196288 0.76 CYP2A6 (0.35) TDP1ALDH1A1CYP1A2CYP2A6TP53
Hydrochloric Acid SCHEMBL7997476 0.75 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL11376238 0.75 TSHR (0.41) TDP1ALDH1A1CYP1A2HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014033967-A1 PHOTO ACID GENERATOR AND ITS SYNTHETIC METHOD RHODIA OPERATIONS (FR) 2014-03-06 WO disclosed
CN-1288222-C Phosphorescent light-emitting material LAIDE SCIENCE & TECHNOLOGY CO (CN) 2006-12-06 CN disclosed
CN-1464027-A Phosphorescent light-emitting material LAIDE SCIENCE & TECHNOLOGY CO (CN) 2003-12-31 CN disclosed
EP-0794218-B1 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENG PLASTICS CORP (JP) 2003-10-15 EP disclosed
EP-0753540-B1 Polycarbonate resin composition MITSUBISHI ENG PLASTICS CORP (JP) 2003-06-11 EP disclosed
WO-2003010361-A2 NITROGEN ATOM TRANSFER YLEKTRA INC. (CA) 2003-02-06 WO disclosed
US-6359028-B1 USED IN MEDICAL EQUIPMENT, DISCOLORATION INHIBITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2002-03-19 US disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5977206-A Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-11-02 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
EP-0753540-A2 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-01-15 EP disclosed
US-4287366-A BY OXIDATION OF THE CORRESPONDING SULFIDE OR SULFOXIDE WITH HYDROGEN PEROXIDE IN THE PRESENCE OF AN ALKALI METAL HYDROXIDE MITSUI TOATSU CHEMICALS, INC. (JP) 1981-09-01 US disclosed