SCHEMBL9717293

SCHEMBL9717293

C=CCOC(=O)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
CSNK2A2 P19784 1/20 0.48
CSNK2A1 P68400 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.46
RARB P10826 5/20 0.42
RXRA P19793 2/20 0.41
SRD5A2 P31213 1/20 0.40
KMT2A Q03164 1/20 0.40
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
RXRB P28702 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
SCHEMBL9717280 0.95 ALDH1A1 (0.51) HSD17B10CSNK2A2CSNK2A1ALDH1A1L3MBTL1
SCHEMBL9056894 0.88 CYP3A4 (0.49) HSD17B10ALDH1A1KMT2ALMNAGAA
SCHEMBL10870487 0.85 CYP3A4 (0.50) HSD17B10ALDH1A1KMT2ACA1CA2
SCHEMBL14984463 0.84 THRB (0.47) HSD17B10ALDH1A1KMT2ACA1CA2
SCHEMBL9717275 0.84 KDM4E (0.45) HSD17B10ALDH1A1LMNAGAA
SCHEMBL14984761 0.84 THRB (0.47) HSD17B10ALDH1A1KMT2ACA1CA2
SCHEMBL6152601 0.84 ELANE (0.49) HSD17B10ALDH1A1LMNA
SCHEMBL10349842 0.81 CYP3A4 (0.41) HSD17B10ALDH1A1L3MBTL1HTTKMT2A
SCHEMBL5840304 0.81 ALDH1A1 (0.61) HSD17B10ALDH1A1L3MBTL1HTTRARB
SCHEMBL9717267 0.81 SNCA (0.55) HSD17B10CSNK2A2CSNK2A1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311692-B1 NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION NIPPON MINING COMPANY LIMITED (JP) 1992-07-08 EP claimed
EP-0311692-A1 NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION NIPPON MINING COMPANY LIMITED (JP) 1989-04-19 EP claimed
US-5137653-A Alkanoyl ester compounds and their intermediates and method of producing the same NIPPON MINING CO., LTD. (JP) 1992-08-11 US disclosed
EP-0311692-B1 NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION NIPPON MINING COMPANY LIMITED (JP) 1992-07-08 EP disclosed
EP-0341713-A2 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1989-11-15 EP disclosed
EP-0311692-A1 NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION NIPPON MINING COMPANY LIMITED (JP) 1989-04-19 EP disclosed