SCHEMBL31377003

SCHEMBL31377003

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 6/20 0.64
▸ PTPN12 Q05209 5/20 0.64
▸ PTPN22 Q9Y2R2 5/20 0.64
▸ TDP1 Q9NUW8 4/20 0.64
▸ PTPN7 P35236 4/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ GPR55 Q9Y2T6 2/20 0.64
▸ NPC1 O15118 2/20 0.62
▸ POLB P06746 5/20 0.60
▸ KMT2A Q03164 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ MAPT P10636 3/20 0.59
▸ PSMD14 O00487 2/20 0.56
▸ BLM P54132 1/20 0.56
▸ SAE1 Q9UBE0 1/20 0.56
▸ UBA2 Q9UBT2 1/20 0.56
▸ MITF O75030 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MYC P01106 1/20 0.54

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
SCHEMBL31377033 0.93 NPC1 (0.72) GPR35PTPN12PTPN22TDP1PTPN7
SCHEMBL31377011 0.92 GPR35 (0.65) GPR35PTPN12PTPN22TDP1PTPN7
SCHEMBL31376925 0.91 GPR35 (0.63) GPR35PTPN12PTPN22TDP1PTPN7
SCHEMBL31376976 0.91 NPC1 (0.71) GPR35PTPN12PTPN22TDP1PTPN7
SCHEMBL31376962 0.90 GPR35 (0.66) GPR35PTPN12PTPN22TDP1PTPN7
SCHEMBL31376994 0.90 NPC1 (0.65) GPR35PTPN12PTPN22TDP1PTPN7
SCHEMBL31376972 0.89 GPR35 (0.63) GPR35PTPN12PTPN22TDP1PTPN7
SCHEMBL31376947 0.89 GPR35 (0.63) GPR35PTPN12PTPN22TDP1PTPN7
SCHEMBL18539156 0.88 NPC1 (0.80) GPR35PTPN12PTPN22TDP1PTPN7
SCHEMBL31377019 0.87 POLB (0.62) GPR35PTPN12PTPN22TDP1PTPN7

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
Send feedback