SCHEMBL31488192

SCHEMBL31488192

CCOC(=O)c1cnn(Cc2ccc(OCC(=O)c3ccccc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ KLKB1 P03952 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ PLA2G4A P47712 1/20 0.45
▸ GRM2 Q14416 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 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
SCHEMBL31488288 0.89 NPC1 (0.62) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL553848 0.85 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1KLKB1LMNAGRM2
SCHEMBL2822906 0.84 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAGRM2L3MBTL1
SCHEMBL31488311 0.84 KLKB1 (0.46) MAPTSMN1; SMN2NPC1ALDH1A1KLKB1
SCHEMBL24236700 0.83 GRM2 (0.47) MAPTSMN1; SMN2NPC1ALDH1A1KLKB1
SCHEMBL31488658 0.83 GRM2 (0.46) MAPTSMN1; SMN2NPC1ALDH1A1KLKB1
SCHEMBL369369 0.82 L3MBTL1 (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1909166 0.81 GRM2 (0.53) NPC1ALDH1A1KLKB1LMNAGRM2
SCHEMBL31307738 0.81 KLKB1 (0.51) MAPTSMN1; SMN2RAB9AALDH1A1KLKB1
SCHEMBL553854 0.81 HSD17B10 (0.60) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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-2025088176-A1 PROCESS FOR THE PREPARATION OF (3,3,3-TRIFLUORO-2-OXO-PROPOXY)PHENYL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-05-01 — — WO claimed
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