SCHEMBL17965191

SCHEMBL17965191

CC(C)(C)C1CC(c2cnc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ S1PR1 P21453 2/20 0.36
▸ S1PR3 Q99500 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CETP P11597 6/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ SPHK2 Q9NRA0 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL17965166 0.88 S1PR1 (0.49) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL17964993 0.86 TLR9 (0.43) KMT2ALMNAS1PR1S1PR3HDAC3
SCHEMBL17965084 0.85 EGLN1 (0.43) KMT2ALMNAS1PR1S1PR3HDAC3
SCHEMBL14242759 0.79 P2RY14 (0.53) CETPP2RY14
SCHEMBL17965106 0.77 LMNA (0.40) LMNAS1PR1S1PR3HDAC3HDAC1
SCHEMBL17964995 0.75 S1PR1 (0.48) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL17965196 0.73 S1PR1 (0.45) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL15732487 0.72 RPS6KB1 (0.42) P2RY14
SCHEMBL17965095 0.72 S1PR1 (0.56) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL4466566 0.72 KMO (0.38) HDAC8

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-2718279-B1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2016-08-10 — — EP claimed
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