SCHEMBL9717301

SCHEMBL9717301

CCCCCCC(C)C(=O)c1ccc(-c2ccccc2)cc1.CCCCCCCCC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
RARB P10826 8/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B3 P37058 6/20 0.48
POLB P06746 1/20 0.46
PTGES O14684 1/20 0.45
ALOX5 P09917 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
SCHEMBL9324302 0.91 HSD17B3 (0.56) HPGDSMN1; SMN2L3MBTL1HDAC1HDAC8
SCHEMBL9717228 0.89 NPC1 (0.51) HPGDSMN1; SMN2L3MBTL1HDAC1HDAC8
SCHEMBL9717247 0.89 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9717304 0.88 RARB (0.50) HDAC1HDAC8RARBMEN1ALDH1A1
SCHEMBL9717278 0.86 RARB (0.69) SMN1; SMN2RARBMEN1ALDH1A1RARA
SCHEMBL9717297 0.85 RARB (0.50) SMN1; SMN2RARBMEN1ALDH1A1RARA
SCHEMBL9717217 0.85 RARB (0.50) SMN1; SMN2RARBMEN1ALDH1A1RARA
SCHEMBL9717294 0.85 RARB (0.50) SMN1; SMN2RARBMEN1ALDH1A1RARA
SCHEMBL9717226 0.85 RARB (0.50) SMN1; SMN2RARBMEN1ALDH1A1RARA
SCHEMBL9717225 0.85 ACE2 (0.50) HPGDSMN1; SMN2L3MBTL1HDAC1HDAC8

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