SCHEMBL8773260

SCHEMBL8773260

COC(=O)OC1(OC(=O)OC)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7625133 0.87 NPSR1 (0.33) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL30599563 0.79 CYP19A1 (0.41) NPSR1MAPTCYP3A4MEN1KMT2A
SCHEMBL30527929 0.79 CYP19A1 (0.41) NPSR1MAPTCYP3A4MEN1KMT2A
SCHEMBL7932551 0.79
SCHEMBL1439339 0.79 CYP19A1 (0.41) NPSR1MAPTCYP3A4MEN1KMT2A
SCHEMBL8773195 0.77 LMNA (0.32)
SCHEMBL8655575 0.77 CYP3A4 (0.35) MAPTCYP3A4ALDH1A1L3MBTL1CYP2C9
SCHEMBL1439622 0.76 NPSR1 (0.39) NPSR1MAPTCYP3A4MEN1KMT2A
SCHEMBL19929348 0.76 NPSR1 (0.35) NPSR1MAPTCYP3A4MEN1KMT2A
SCHEMBL1326935 0.75 ALDH1A1 (0.32) NPSR1CYP3A4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671380-B1 Process for the catalytic splitting off of carboxylic ester and acyl groups from organic compounds BASF AG (DE) 1997-10-29 EP disclosed
EP-0549898-B1 Method for the preparation of primaryl alcohols BASF AG (DE) 1996-02-07 EP disclosed
EP-0671380-A1 Process for the catalytic splitting off of carboxylic ester and acyl groups from organic compounds BASF AKTIENGESELLSCHAFT (DE) 1995-09-13 EP disclosed
EP-0549898-A1 Method for the preparation of primaryl alcohols BASF Aktiengesellschaft (DE) 1993-07-07 EP disclosed