Sugi Predict

Sugi Predict / Compounds / SCHEMBL9114298

SCHEMBL9114298

SCHEMBL9114298

CCCc1c(/C=C/C(=O)c2ccc(O)cc2)cc(OC(C)C)cc1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ABCG2 Q9UNQ0 4/20 0.44
▸ MAOB P27338 2/20 0.44
▸ DPP4 P27487 3/20 0.43
▸ PTPN1 P18031 4/20 0.42
▸ CHRNA7 P36544 1/20 0.42

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
SCHEMBL9112043 1.00 CAPN1 (0.46) CAPN1CTSLCTSBTDP1ABCG2
SCHEMBL9114446 0.90 TNFRSF1A (0.54) ABCG2MAOBDPP4PTPN1
SCHEMBL9114434 0.90 TNFRSF1A (0.54) ABCG2MAOBDPP4PTPN1
SCHEMBL9114023 0.89 DPP4 (0.48) ABCG2MAOBDPP4PTPN1
SCHEMBL9114006 0.89 DPP4 (0.48) ABCG2MAOBDPP4PTPN1
SCHEMBL9112411 0.86 PTPN1 (0.53) CAPN1CTSLCTSBTDP1ABCG2
SCHEMBL9113069 0.86 PTPN1 (0.53) CAPN1CTSLCTSBTDP1ABCG2
SCHEMBL9114929 0.86 PTPN1 (0.49) ABCG2DPP4PTPN1
SCHEMBL9114936 0.86 PTPN1 (0.49) ABCG2DPP4PTPN1
SCHEMBL9115032 0.84 ABCG2 (0.50) CTSLTDP1ABCG2MAOB

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-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 — — WO disclosed