SCHEMBL10693312

SCHEMBL10693312

CCCC(C)(C)[Si](C)(C)OCCc1ccc(CCCI)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.31
TNNC1 P63316 5/20 0.31
S1PR1 P21453 4/20 0.31
S1PR4 O95977 3/20 0.31
S1PR3 Q99500 3/20 0.31
S1PR5 Q9H228 3/20 0.31
SGPL1 O95470 1/20 0.31
GPR183 P32249 1/20 0.31
CERS2 Q96G23 1/20 0.31

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
SCHEMBL9813462 0.86 THRA (0.32) SPHK2TNNC1S1PR1S1PR4S1PR3
SCHEMBL9813439 0.82 TAAR1 (0.35)
SCHEMBL9813438 0.82 MEN1 (0.37)
SCHEMBL9813447 0.82 PPARA (0.38) SPHK2TNNC1S1PR1S1PR4S1PR3
SCHEMBL9699540 0.78
SCHEMBL9813434 0.77 NPC1 (0.41)
SCHEMBL9813457 0.76 ALDH1A1 (0.38)
SCHEMBL10633012 0.74 ESR1 (0.33) SPHK2TNNC1S1PR1S1PR4S1PR3
SCHEMBL10694561 0.74 SPHK2 (0.31) SPHK2TNNC1S1PR1S1PR4S1PR3
SCHEMBL10690728 0.72 ALDH1A1 (0.32) SPHK2TNNC1S1PR1S1PR4S1PR3

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
US-4783473-A ANTICOAGULANTS, VASODILATORS, BRONCHODILATORS E. R. SQUIBB & SONS, INC. (US) 1988-11-08 US disclosed