SCHEMBL899714

SCHEMBL899714

CCc1cccc2ccccc12.c1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
PPARG P37231 7/20 0.50
PPARA Q07869 7/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
PPARD Q03181 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
TNF P01375 1/20 0.46

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
Benzene SCHEMBL28149096 0.87 TDP1 (0.61) TDP1MEN1ALDH1A1MAPTHPGD
Hydrogen Peroxide SCHEMBL363161 0.85 TDP1 (0.64) TDP1MEN1MAPTKMT2ACYP2C19
SCHEMBL30365968 0.84 CYP1A2 (0.59) TDP1MEN1ALDH1A1MAPTHPGD
SCHEMBL47 0.84 CYP1A2 (0.59) TDP1MEN1ALDH1A1MAPTHPGD
SCHEMBL29140496 0.82 CYP1A2 (0.57) TDP1MEN1ALDH1A1MAPTHPGD
Hydrogen Sulfide SCHEMBL28763519 0.82 CYP1A2 (0.57) TDP1MEN1ALDH1A1MAPTHPGD
SCHEMBL27347238 0.82 CYP1A2 (0.57) TDP1MEN1ALDH1A1MAPTHPGD
Water SCHEMBL8463988 0.82 CYP1A2 (0.57) TDP1MEN1ALDH1A1MAPTHPGD
Water SCHEMBL28258264 0.82 CYP1A2 (0.57) TDP1MEN1ALDH1A1MAPTHPGD
Naphthalene SCHEMBL28758695 0.82 CYP1A2 (0.57) TDP1MEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427521-A Preparation of organic functional material 默克专利有限公司 2022-12-02 CN disclosed
US-10950792-B2 Formulation of an organic functional material MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-20200136046-A1 FORMULATION OF AN ORGANIC FUNCTIONAL MATERIAL MERCK PATENT GMBH (DE) 2020-04-30 US disclosed
EP-2621614-A1 THIN FILM COMPOSITE MEMBRANES INCORPORATING CARBON NANOTUBES General Electric Company (US) 2013-08-07 EP disclosed
WO-2012047359-A1 THIN FILM COMPOSITE MEMBRANES INCORPORATING CARBON NANOTUBES GENERAL ELECTRIC COMPANY (US) 2012-04-12 WO disclosed
US-20120080381-A1 THIN FILM COMPOSITE MEMBRANES INCORPORATING CARBON NANOTUBES GENERAL ELECTRIC COMPANY (US) 2012-04-05 US disclosed