SCHEMBL16667001

SCHEMBL16667001

CC(C)(C)[C@H]1CC[C@H](Oc2ccc3cc(CN4CC(OC(=O)O)C4)ccc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.53
▸ S1PR5 Q9H228 7/20 0.43
▸ CCR3 P51677 1/20 0.40
▸ NPC1L1 Q9UHC9 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ ROCK1 Q13464 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
SCHEMBL16667015 0.93 ENPP2 (0.49) ENPP2S1PR5CCR3ROCK1
SCHEMBL16667013 0.91 ROCK1 (0.48) ENPP2S1PR5NPC1L1ROCK1
SCHEMBL16667103 0.91 ROCK1 (0.48) ENPP2S1PR5NPC1L1ROCK1
SCHEMBL17997536 0.91 ENPP2 (0.50) ENPP2S1PR5CCR3ROCK1
SCHEMBL16667317 0.91 ENPP2 (0.50) ENPP2S1PR5CCR3ROCK1
SCHEMBL1161649 0.88 ENPP2 (0.61) ENPP2S1PR5
SCHEMBL1161647 0.88 ENPP2 (0.61) ENPP2S1PR5
SCHEMBL11942487 0.88 ENPP2 (0.61) ENPP2S1PR5
SCHEMBL11942415 0.88 ENPP2 (0.61) ENPP2S1PR5
SCHEMBL16667132 0.88 ENPP2 (0.51) ENPP2S1PR5

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
EP-2461683-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2015-04-29 — — EP claimed
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