SCHEMBL8514083

SCHEMBL8514083

CC(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.40
LPL P06858 13/20 0.37
LIPG Q9Y5X9 13/20 0.37
HIF1A Q16665 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CSF1R P07333 1/20 0.34
DGAT1 O75907 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL1293479 0.87 RXRA (0.41) AAK1LPLLIPGCA1CA2
SCHEMBL14552656 0.81 LPL (0.40) AAK1LPLLIPGHIF1ACA1
SCHEMBL130370 0.79 CSF1R (0.43) AAK1LPLLIPGCA1CA2
SCHEMBL1328329 0.79 LPL (0.45) AAK1LPLLIPGCA1CA2
SCHEMBL15788155 0.79 CSF1R (0.43) AAK1LPLLIPGCA1CA2
SCHEMBL29623476 0.79 CSF1R (0.43) AAK1LPLLIPGCA1CA2
SCHEMBL1293591 0.79 AAK1 (0.48) AAK1LPLLIPGCA1CA2
SCHEMBL8511356 0.79 LPL (0.40) AAK1LPLLIPGCA1CA2
SCHEMBL1643646 0.79 HIF1A (0.42) AAK1LPLLIPGHIF1ACA1
SCHEMBL1643648 0.78 HIF1A (0.41) AAK1LPLLIPGHIF1ACA1

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-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed