SCHEMBL8856767

SCHEMBL8856767

CC1=CC(C)(C)Nc2cccc(Nc3ccccc3)c21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PGR P06401 15/20 0.44
▸ NR3C1 P04150 6/20 0.40
▸ AR P10275 5/20 0.40
▸ NR3C2 P08235 3/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RECQL P46063 1/20 0.40

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
SCHEMBL27305822 0.84 PGR (0.46) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL8856837 0.71 PGR (0.62) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL30973137 0.71 PGR (0.62) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL28300928 0.68 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL29351296 0.67 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL940450 0.67 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL44875 0.67 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL11035448 0.66 NR3C1 (0.54) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL9420120 0.65 ALDH1A1 (0.96) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
Hydrochloric Acid SCHEMBL11446966 0.65 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684073-A BLEND OF BUTADIENE-STYRENE COPOLYMER WITH P-PHENYLENEDIAMINE AND POLYMERIC DIHYDROQUINOLINE ANTIOXIDANTS THE YOKOHAMA RUBBER CO., LTD. (JP) 1997-11-04 — — US disclosed
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