SCHEMBL8664444

SCHEMBL8664444

[Li]c1ccc2cc3ccccc3cc2c1[Li]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
HSD17B10 Q99714 7/20 0.52
HIF1A Q16665 3/20 0.52
CYP1B1 Q16678 1/20 0.52
CYP1A2 P05177 5/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
ALOX15 P16050 1/20 0.38
HBB P68871 1/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
CYP2A6 P11509 5/20 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
SCHEMBL4853659 0.83 ALDH1A1 (0.72) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4848746 0.83 ALDH1A1 (0.72) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL23664 0.83 ALDH1A1 (0.72) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL29532882 0.83 ALDH1A1 (0.72) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL25966 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4850502 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL31127473 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL15063036 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL190685 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4853466 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572792-B1 Tire tread composition BRIDGESTONE CORP (JP) 1998-12-09 EP disclosed
EP-0572792-A1 Tire tread composition BRIDGESTONE CORPORATION (JP) 1993-12-08 EP disclosed
US-5248722-A Functionalized elastomer, oxidized carbon black, reduced hysteresis BRIDGESTONE CORPORATION (JP) 1993-09-28 US disclosed