SCHEMBL17997523

SCHEMBL17997523

CC(C)(C)C1CCC(Oc2ccc3cc(CN4CCCC(OC(=O)O)CC4)ccc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.47
▸ CCR3 P51677 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ S1PR5 Q9H228 2/20 0.44
▸ ADRB2 P07550 3/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42

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
SCHEMBL17997536 0.96 ENPP2 (0.50) ENPP2CCR3MEN1KMT2AS1PR5
SCHEMBL16667317 0.96 ENPP2 (0.50) ENPP2CCR3MEN1KMT2AS1PR5
SCHEMBL16667103 0.93 ROCK1 (0.48) ENPP2S1PR5KCNH2
SCHEMBL16667013 0.93 ROCK1 (0.48) ENPP2S1PR5KCNH2
SCHEMBL16667015 0.90 ENPP2 (0.49) ENPP2CCR3MEN1KMT2AS1PR5
SCHEMBL17997518 0.88 CCR3 (0.53) ENPP2CCR3MEN1KMT2AADRB2
SCHEMBL12471114 0.88 S1PR5 (0.56) ENPP2MEN1KMT2AS1PR5
SCHEMBL16309019 0.88 S1PR5 (0.56) ENPP2MEN1KMT2AS1PR5
SCHEMBL19831707 0.88 S1PR5 (0.56) ENPP2MEN1KMT2AS1PR5
SCHEMBL16667001 0.87 ENPP2 (0.53) ENPP2CCR3S1PR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 — — EP claimed
EP-2672823-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2016-08-24 — — EP claimed
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