SCHEMBL10489249

SCHEMBL10489249

CCCCc1c(F)c(F)c(C(O)S)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.35
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR1 O14842 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL10489238 0.88 GCGR (0.33) GCGR
SCHEMBL10489236 0.79
SCHEMBL21766610 0.78 GCGR (0.37) GCGRNPC1HPGDMAPK1HTT
SCHEMBL8165780 0.76 NPC1 (0.39) GCGRNPC1HPGDMAPK1HTT
SCHEMBL26382451 0.73 GCGR (0.35) GCGRFFAR1
SCHEMBL10989730 0.73 GCGR (0.41) GCGRNPC1HPGDMAPK1HTT
SCHEMBL10489243 0.72 TAS1R3 (0.32)
SCHEMBL26375129 0.72 TAS1R3 (0.38) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL27299525 0.72 TSHR (0.42) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9503180 0.70 NPC1 (0.35) GCGRNPC1HPGDMAPK1HTT

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
US-4820735-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed