SCHEMBL5510327

SCHEMBL5510327

CC(C)(C)c1ccc(B(O)O)cc1.CC(C)(O)C(C)(C)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.59
MGLL Q99685 1/20 0.52
CA2 P00918 3/20 0.46
LPL P06858 3/20 0.46
LIPG Q9Y5X9 3/20 0.46
LMNA P02545 1/20 0.46
TYR P14679 1/20 0.46
ENPP2 Q13822 5/20 0.42
TSHR P16473 2/20 0.42
CA1 P00915 2/20 0.41
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
HIF1A Q16665 1/20 0.38

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
SCHEMBL27736 0.93 TRPV1 (0.66) TRPV1MGLLCA2LPLLIPG
SCHEMBL28470750 0.88 CA2 (0.57) TRPV1MGLLCA2LPLLIPG
SCHEMBL28525520 0.88 CA2 (0.57) TRPV1MGLLCA2LPLLIPG
SCHEMBL257878 0.86 TRPV1 (0.59) TRPV1MGLLCA2LPLLIPG
SCHEMBL28120485 0.86 TRPV1 (0.59) TRPV1MGLLCA2LPLLIPG
SCHEMBL12282019 0.83 TRPV1 (0.56) TRPV1MGLLCA2LPLLIPG
SCHEMBL25413876 0.83 MGLL (0.79) TRPV1MGLLCA2LPLLIPG
SCHEMBL29266012 0.81 CA2 (0.58) TRPV1MGLLCA2LPLLIPG
SCHEMBL722182 0.81 MGLL (0.56) TRPV1MGLLCA2LPLLIPG
SCHEMBL17763338 0.81 TRPV1 (0.42) TRPV1MGLLCA2LMNATYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109694382-A A method of preparing aryl-boric acid ester at room temperature 广州医科大学 2019-04-30 CN disclosed
US-20070040164-A1 Polymer complex compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-02-22 US disclosed