SCHEMBL9717258

SCHEMBL9717258

CCC(C)C(=O)O.CCC(C)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.51
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 1/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
PTGS2 P35354 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL4558930 0.95 SMN1; SMN2 (0.56) SMN1; SMN2MAPTL3MBTL1ALDH1A1LMNA
Biphenyl SCHEMBL9327587 0.88 PTGS2 (0.53) SMN1; SMN2MAPTL3MBTL1HPGDPTGS2
SCHEMBL10489465 0.84 PGR (0.58) SMN1; SMN2MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL2128162 0.84 PGR (0.58) SMN1; SMN2MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL24221611 0.82 LMNA (0.48) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL9405584 0.81 PDPK1 (0.56) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL9192033 0.81 CHRM2 (0.51) SMN1; SMN2ALDH1A1LMNAHTTHPGD
SCHEMBL9325685 0.81 PDPK1 (0.56) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL4560389 0.80 KMO (0.53) SMN1; SMN2MAPTL3MBTL1PTGS2HDAC8
SCHEMBL16186522 0.80 SMN1; SMN2 (0.47) SMN1; SMN2MAPTL3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0311692-A1 NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION NIPPON MINING COMPANY LIMITED (JP) 1989-04-19 EP disclosed