SCHEMBL9688520

SCHEMBL9688520

CCCCc1ccc(-c2cnc(-c3ccc(C(=O)OC)cc3)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ RARB P10826 7/20 0.55
▸ CYP4A11 Q02928 2/20 0.55
▸ CYP4F2 P78329 1/20 0.54
▸ MEN1 O00255 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ RARA P10276 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ PLK1 P53350 1/20 0.48
▸ FAAH O00519 1/20 0.46
▸ MDH1 P40925 1/20 0.46
▸ NPC1 O15118 1/20 0.45

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
SCHEMBL6253750 0.95 RARB (0.61) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL16486768 0.91 MAPT (0.54) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL9694892 0.91 RARB (0.64) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL12656086 0.89 RARB (0.68) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL9695731 0.86 RARB (0.71) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL9695133 0.85 RARB (0.73) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL9696525 0.85 RARB (0.73) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL9693690 0.85 RARB (0.73) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL9693545 0.85 RARB (0.73) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL9687283 0.85 RARB (0.77) MAPTSMN1; SMN2RARBMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5167857-A Optically active, optical modulation CANON KABUSHIKI KAISHA (JP) 1992-12-01 — — US disclosed
EP-0175591-B1 LACTIC ACID DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING SAME AND LIQUID CRYSTAL DEVICE CANON KABUSHIKI KAISHA (JP) 1991-03-06 — — EP disclosed
US-4775223-A DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 1988-10-04 — — US disclosed
EP-0175591-A2 Lactic acid derivative, liquid crystal composition containing same and liquid crystal device CANON KABUSHIKI KAISHA (JP) 1986-03-26 — — EP disclosed
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