SCHEMBL10400334

SCHEMBL10400334

CCCCCCCCCCCCCCCCCC(=O)OC(CCCC)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
PRSS1 P07477 3/20 0.43
CTSG P08311 3/20 0.43
CTRB1 P17538 3/20 0.43
CMA1 P23946 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PPARG P37231 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.42
NAAA Q02083 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL29117034 0.93 CES2 (0.49) CES2CES1LMNAMAPK1MAPT
SCHEMBL28199541 0.84 CES2 (0.54) CES2CES1LMNAMAPK1MAPT
SCHEMBL11756299 0.83 ALDH1A1 (0.49) CES2CES1PRSS1CTSGCTRB1
SCHEMBL20211558 0.83 ALDH1A1 (0.50) CES2CES1LMNAMAPTPRSS1
SCHEMBL1628826 0.81 ALDH1A1 (0.48) CES2CES1LMNAMAPTPRSS1
SCHEMBL8599280 0.81 PRSS1 (0.49) CES2CES1LMNAMAPK1MAPT
SCHEMBL151369 0.79 PRSS1 (0.48) CES2CES1LMNAMAPK1MAPT
SCHEMBL9821400 0.79 CES2 (0.55) CES2CES1LMNAMAPK1MAPT
SCHEMBL9821538 0.79 CES2 (0.55) CES2CES1LMNAMAPK1MAPT
SCHEMBL28873047 0.79 CES2 (0.55) CES2CES1LMNAMAPK1MAPT

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
US-4980096-A Protective coatings; adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-25 US disclosed
US-4740600-A UNBLOCKING WITH ACTINIC RADIATION; PROTECTIVE COATING; THERMOPLASTIC RESIN MIXTURES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-04-26 US disclosed
US-4599273-A PROTECTIVE COATINGS, PRESSURE SENSITIVE ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1986-07-08 US disclosed
EP-0046083-B1 PHOTOLABILE BLOCKED SURFACTANTS AND COMPOSITIONS CONTAINING THE SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-10-16 EP disclosed
US-4478967-A Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-23 US disclosed
EP-0046083-A2 Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-17 EP disclosed