SCHEMBL31377033

SCHEMBL31377033

CCc1ccc(/C=C2\SC(=O)N(CCCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.72
▸ GPR35 Q9HC97 7/20 0.69
▸ PTPN12 Q05209 6/20 0.69
▸ PTPN22 Q9Y2R2 6/20 0.69
▸ PTPN7 P35236 5/20 0.64
▸ PSMD14 O00487 2/20 0.64
▸ TDP1 Q9NUW8 4/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ GPR55 Q9Y2T6 2/20 0.64
▸ POLB P06746 5/20 0.60
▸ MITF O75030 2/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ GLP1R P43220 1/20 0.57

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
SCHEMBL31376976 0.97 NPC1 (0.71) NPC1GPR35PTPN12PTPN22PTPN7
SCHEMBL18539156 0.95 NPC1 (0.80) NPC1GPR35PTPN12PTPN22PTPN7
SCHEMBL31377003 0.93 GPR35 (0.64) NPC1GPR35PTPN12PTPN22PTPN7
SCHEMBL31376994 0.91 NPC1 (0.65) NPC1GPR35PTPN12PTPN22PTPN7
SCHEMBL31376962 0.91 GPR35 (0.66) NPC1GPR35PTPN12PTPN22PTPN7
SCHEMBL31376947 0.91 GPR35 (0.63) NPC1GPR35PTPN12PTPN22PTPN7
SCHEMBL31376972 0.91 GPR35 (0.63) NPC1GPR35PTPN12PTPN22PTPN7
SCHEMBL31377011 0.90 GPR35 (0.65) NPC1GPR35PTPN12PTPN22PTPN7
SCHEMBL31377019 0.89 POLB (0.62) NPC1GPR35PTPN12PTPN22PTPN7
SCHEMBL31376925 0.89 GPR35 (0.63) NPC1GPR35PTPN12PTPN22PTPN7

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
WO-2025064325-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. (US) 2025-03-27 — — WO disclosed
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