SCHEMBL10745713

SCHEMBL10745713

O=C(O)CCSc1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ LIPC P11150 1/20 0.43
▸ LIPG Q9Y5X9 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ CES2 O00748 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SORT1 Q99523 5/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.40
▸ CYSLTR1 Q9Y271 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM1A O60341 1/20 0.39

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
SCHEMBL11776625 0.87 FKBP1A (0.55) FKBP1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28583704 0.83 FKBP1A (0.52) FKBP1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11771993 0.81 FKBP1A (0.53) FKBP1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL15911983 0.79 ALDH1A1 (0.56) FKBP1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10746094 0.78 FKBP1A (0.53) FKBP1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11819040 0.77 FKBP1A (0.52) FKBP1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11771485 0.77 FKBP1A (0.58) FKBP1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11825095 0.77 FKBP1A (0.52) FKBP1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11821844 0.77 FKBP1A (0.52) FKBP1AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11821280 0.77 FKBP1A (0.52) FKBP1AALDH1A1HPGDKDM4EHSD17B10

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
CN-112939958-B Condensed ring acyl compound and application thereof 沈阳中化农药化工研发有限公司 2024-05-14 — — CN disclosed
US-4663344-A ANTIPYRETICS, ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1987-05-05 — — US disclosed
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