SCHEMBL21295577

SCHEMBL21295577

C=Cc1ccc(C(C)C)cc1C(C)C.C=Cc1ccc(CC)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL29366381 0.83 TYR (0.44) TYRL3MBTL1PTGS1PTGS2ALDH1A1
SCHEMBL93686 0.83 TYR (0.44) TYRL3MBTL1PTGS1PTGS2ALDH1A1
SCHEMBL18691150 0.80 TRPV1 (0.38) TYRALDH1A1MAPTRAB9ASCN10A
SCHEMBL15915 0.74 ALDH1A1 (0.58) TSHRALOX5PTGS1PTGS2ALDH1A1
SCHEMBL27177819 0.72 TYR (0.32) TYR
SCHEMBL27177818 0.72 HTR2A (0.39) TSHRMAPK1
Arsenic SCHEMBL28835563 0.72 ALDH1A1 (0.55) TSHRALOX5PTGS1PTGS2ALDH1A1
Ethylene SCHEMBL28003592 0.72 ALDH1A1 (0.55) TSHRALOX5PTGS1PTGS2ALDH1A1
SCHEMBL10492933 0.71 ALDH1A1 (0.44) TSHRTDP1ALOX5PTGS1PTGS2
SCHEMBL28159439 0.70 GSR (0.33)

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
WO-2019163772-A1 CROSSLINKED RUBBER 日本ゼオン株式会社 2019-08-29 WO disclosed