SCHEMBL22150433

SCHEMBL22150433

CCCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.45
LIPG Q9Y5X9 7/20 0.45
S1PR1 P21453 3/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
HIF1A Q16665 3/20 0.36
AAK1 Q2M2I8 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
DGAT1 O75907 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL2947619 0.95 LPL (0.48) LPLLIPGS1PR1THRATHRB
SCHEMBL18704586 0.94 LPL (0.42) LPLLIPGS1PR1THRATHRB
SCHEMBL2146769 0.89 CTSS (0.42) LPLLIPGS1PR1THRATHRB
SCHEMBL16499739 0.88 RXRA (0.42) LPLLIPGCTSSCTSKPDE3B
SCHEMBL6901029 0.87 LPL (0.36) LPLLIPGS1PR1HIF1AAAK1
SCHEMBL2146382 0.87 S1PR1 (0.42) LPLLIPGS1PR1CTSSCTSK
SCHEMBL28553153 0.86 THRA (0.43) LPLLIPGTHRATHRBCTSS
SCHEMBL6897919 0.85 KDM4E (0.41) LPLLIPGS1PR1HIF1AAAK1
SCHEMBL16335131 0.83 PDK2 (0.40) S1PR1THRATHRBHIF1AAAK1
SCHEMBL20361068 0.83 LPL (0.45) LPLLIPGS1PR1DRD2

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-3013796-B9 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEMICAL LTD (KR) 2020-07-01 EP disclosed