SCHEMBL17964993

SCHEMBL17964993

CC(C)(C)C1CC(c2ccc3nc(-c4ccc(C(F)(F)F)cc4)oc3c2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ S1PR1 P21453 2/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ P2RY14 Q15391 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ FASN P49327 3/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ DRD5 P21918 1/20 0.36
▸ HTR1D P28221 1/20 0.36

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 0.93 S1PR1 (0.49) TLR9MGLLS1PR1S1PR3HDAC6
SCHEMBL17965191 0.86 KMT2A (0.38) TLR9S1PR1S1PR3HDAC6HDAC3
SCHEMBL17965098 0.85 MGLL (0.49) TLR9MGLLS1PR1S1PR3HDAC6
SCHEMBL17964995 0.80 S1PR1 (0.48) TLR9S1PR1S1PR3HDAC6HDAC3
SCHEMBL17965106 0.79 LMNA (0.40) S1PR1S1PR3HDAC6HDAC3HDAC1
SCHEMBL14242764 0.79 P2RY14 (0.55) TLR9MGLLP2RY14CETP
SCHEMBL17965169 0.78 GPR119 (0.42) S1PR1S1PR3KCNH2
SCHEMBL17965196 0.78 S1PR1 (0.45) S1PR1S1PR3HDAC6HDAC3HDAC1
SCHEMBL17965095 0.78 S1PR1 (0.56) TLR9MGLLS1PR1S1PR3HDAC6
SCHEMBL17965139 0.76 GPR119 (0.43) S1PR1S1PR3HDAC6HDAC3HDAC1

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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