SCHEMBL9723790

SCHEMBL9723790

CCCCCCCc1ccc(-c2ccc(C(=O)OC)cc2)nc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.85
▸ MAPT P10636 5/20 0.85
▸ RAB9A P51151 8/20 0.73
▸ NPC1 O15118 7/20 0.73
▸ NFKB1 P19838 2/20 0.73
▸ NFKB2 Q00653 2/20 0.73
▸ RELA Q04206 2/20 0.73
▸ STAT3 P40763 1/20 0.66
▸ ATM Q13315 1/20 0.66
▸ CASP3 P42574 2/20 0.64
▸ SENP8 Q96LD8 2/20 0.64
▸ SENP7 Q9BQF6 2/20 0.64
▸ SENP6 Q9GZR1 2/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ TP53 P04637 2/20 0.59
▸ THRB P10828 2/20 0.58
▸ MAPK1 P28482 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
SCHEMBL9699931 0.89 SMN1; SMN2 (0.72) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL9695133 0.86 RARB (0.73) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL9693690 0.86 RARB (0.73) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL9696525 0.86 RARB (0.73) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL9693545 0.86 RARB (0.73) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL10662853 0.86 RAB9A (0.97) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL9723816 0.86 RAB9A (0.97) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL10348208 0.86 RAB9A (0.78) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL9805357 0.84 RAB9A (1.00) SMN1; SMN2MAPTRAB9ANPC1NFKB1
SCHEMBL9695731 0.84 RARB (0.71) SMN1; SMN2MAPTRAB9ANPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114613-A High-speed responsive, stable films; controlling the mesomorphic state and temperature CANON KABUSHIKI KAISHA (JP) 1992-05-19 — — US disclosed
US-4882085-A Lactic acid derivative and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-11-21 — — US disclosed
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