SCHEMBL8511356

SCHEMBL8511356

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.40
LIPG Q9Y5X9 13/20 0.40
CSF1R P07333 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
AAK1 Q2M2I8 2/20 0.36
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
ESR2 Q92731 1/20 0.34
F11 P03951 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
SCHEMBL8515009 0.88 LPL (0.40) LPLLIPGCSF1RCA1CA2
SCHEMBL24478331 0.86 CSF1R (0.46) LPLLIPGCSF1RCA1CA2
SCHEMBL14552656 0.83 LPL (0.40) LPLLIPGCSF1RCA1CA2
SCHEMBL1328329 0.82 LPL (0.45) LPLLIPGCSF1RCA1CA2
SCHEMBL29623476 0.82 CSF1R (0.43) LPLLIPGCSF1RCA1CA2
SCHEMBL130370 0.82 CSF1R (0.43) LPLLIPGCSF1RCA1CA2
SCHEMBL1293591 0.82 AAK1 (0.48) LPLLIPGCSF1RCA1CA2
SCHEMBL15788155 0.82 CSF1R (0.43) LPLLIPGCSF1RCA1CA2
SCHEMBL20364048 0.80 LPL (0.46) LPLLIPGCSF1RCA1CA2
SCHEMBL8514083 0.79 AAK1 (0.40) LPLLIPGCSF1RCA1CA2

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