SCHEMBL9237751

SCHEMBL9237751

O=S(=O)(OC1CCCCC1C1CCCCC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ENPP3 O14638 3/20 0.39
ENPP1 P22413 3/20 0.39
ENPP2 Q13822 2/20 0.39
PARL Q9H300 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
GAA P10253 1/20 0.37
APLNR P35414 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14780257 0.97 ALDH1A1 (0.44) ALDH1A1NPSR1THRBMAPK1CYP3A4
SCHEMBL19469379 0.85 CYP2D6 (0.55) ALDH1A1CYP3A4CYP2C19KDM4EKMT2A
SCHEMBL14779168 0.85 ALDH1A1 (0.49) ALDH1A1NPSR1THRBMAPK1CYP3A4
SCHEMBL10408633 0.83 MCOLN3 (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL14780477 0.82 CYP2D6 (0.55) ALDH1A1CYP3A4CYP2C19KDM4EKMT2A
SCHEMBL9100295 0.81 SMN1; SMN2 (0.42) ALDH1A1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL14779367 0.81 MAPK1 (0.47) ALDH1A1NPSR1THRBMAPK1CYP3A4
SCHEMBL9100772 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9244251 0.78 ALDH1A1 (0.42) ALDH1A1MAPK1KDM4EMEN1KMT2A
SCHEMBL2976683 0.78 ALDH1A1 (0.43) ALDH1A1NPSR1THRBMAPK1CYP3A4

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-11450445-B2 Electroconductive film and method for manufacturing electroconductive pattern TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2022-09-20 US disclosed
US-20200303086-A1 ELECTROCONDUCTIVE FILM AND METHOD FOR MANUFACTURING ELECTROCONDUCTIVE PATTERN TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2020-09-24 US disclosed
US-10720259-B2 Electroconductive film and method for manufacturing electroconductive pattern TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2020-07-21 US disclosed
US-20170309363-A1 ELECTROCONDUCTIVE FILM AND METHOD FOR MANUFACTURING ELECTROCONDUCTIVE PATTERN TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-10-26 US disclosed
US-5446011-A Imagewise coloring when heating; mixture of n-substituted indole, aromatic polyhydroxy compound, carbonyl compound and an acid RICOH COMPANY, LTD. (JP) 1995-08-29 US disclosed