SCHEMBL14710294

SCHEMBL14710294

COC(=O)C1(c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
HIF1A Q16665 5/20 0.40
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
OPRM1 P35372 1/20 0.37
DGAT1 O75907 1/20 0.37
ROCK1 Q13464 1/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
SNCA P37840 1/20 0.34

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
SCHEMBL14709101 0.87 CA1 (0.42) LPLLIPGCA1CA2CA9
SCHEMBL2034947 0.85 LIPG (0.39) LPLLIPGHIF1ACA1CA2
SCHEMBL14709228 0.83 SMN1; SMN2 (0.37) HIF1ACA1CA2CA9DGAT1
SCHEMBL14709417 0.83 LIPG (0.49) LPLLIPGCA1CA2CA9
SCHEMBL14712080 0.82 CA1 (0.41) LPLLIPGHIF1ACA1CA2
SCHEMBL14711235 0.82 HRH3 (0.43) LPLLIPGCA1CA2CA9
SCHEMBL14711627 0.81 HRH3 (0.42) LPLLIPGHIF1ACA1CA2
SCHEMBL14790408 0.80 HIF1A (0.36) LPLLIPGHIF1ACA1CA2
SCHEMBL15912438 0.80 ALDH1A1 (0.41) LPLLIPGCA1CA2CA9
SCHEMBL14712137 0.79 AAK1 (0.38) LPLLIPGHIF1ACA1CA2

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-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed