SCHEMBL16649541

SCHEMBL16649541

CCCCCC(CC)OC(=O)N(c1ccccc1)c1nc(N(C(=O)OC(CC)CCCCC)c2ccccc2)nc(N(C(=O)OC(CC)CCCCC)c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
CNR2 P34972 1/20 0.39
TACR1 P25103 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
CSNK1E P49674 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL27701669 0.82 CHRNB2 (0.47) ALDH1A1CTSLCTSBCTSKCNR2
SCHEMBL3238971 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AL3MBTL1PRSS1
Phthalic Acid SCHEMBL7624657 0.73 ALDH1A1 (0.60) ALDH1A1CTSLCTSBCTSKCNR2
SCHEMBL297352 0.73 PRKCA (0.57) ALDH1A1CTSLCTSBCTSKCNR2
SCHEMBL27622742 0.72 CTSK (0.51) ALDH1A1CTSLCTSBCTSKKMT2A
SCHEMBL1523178 0.72 ALDH1A1 (0.71) ALDH1A1CTSLCTSBCTSKCNR2
SCHEMBL30001236 0.72 ALDH1A1 (0.71) ALDH1A1CTSLCTSBCTSKCNR2
SCHEMBL29263163 0.72 PRKCA (0.56) ALDH1A1CTSLCTSBCTSKCNR2
SCHEMBL16965372 0.72 ATM (0.44) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL29139955 0.72 PRKCA (0.56) ALDH1A1CTSLCTSBCTSKCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2482793-B1 USE OF PIPERIDINE ESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS COMPRISING IT ORÉAL L (FR) 2015-04-22 EP disclosed