SCHEMBL528247

SCHEMBL528247

CC(CC1CCCCC1)C(C)(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.42
CTSS P25774 1/20 0.42
CTSL P07711 3/20 0.39
CTSB P07858 3/20 0.39
CTSH P09668 2/20 0.39
LTA4H P09960 1/20 0.39
OPRK1 P41145 1/20 0.37
METAP1 P53582 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
SCHEMBL27620409 0.82 CTSK (0.40) CTSKCTSSCTSLCTSBCTSH
Hydrochloric Acid SCHEMBL7838394 0.79 METAP1 (0.41) CTSKCTSSMETAP1
SCHEMBL24599801 0.76 CYP1A2 (0.39) CTSKCTSLCTSBCTSH
SCHEMBL27601913 0.73 LTA4H (0.39) CTSKCTSSCTSLCTSBCTSH
SCHEMBL7794348 0.72 LTA4H (0.46) CTSKCTSLCTSBLTA4H
SCHEMBL5326239 0.72 LTA4H (0.46) CTSKCTSLCTSBLTA4H
SCHEMBL19817250 0.72 LTA4H (0.46) CTSKCTSLCTSBLTA4H
SCHEMBL14947101 0.72 LTA4H (0.46) CTSKCTSLCTSBLTA4H
SCHEMBL28948946 0.72 LTA4H (0.46) CTSKCTSLCTSBLTA4H
SCHEMBL13423682 0.72 LTA4H (0.40) CTSKCTSSCTSLCTSBCTSH

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
US-9145570-B2 Enzymatic acylation method using an acylphosphonate donor PCAS BIOSOLUTION (FR) 2015-09-29 US disclosed
EP-2598644-A1 ENZYMATIC ACYLATION METHOD USING AN ACYLPHOSPHONATE DONOR PCAS Biosolution (FR) 2013-06-05 EP disclosed
US-20130130337-A1 Enzymatic Acylation Method Using an Acylphosphonate Donor PCAS BIOSOLUTION (FR) 2013-05-23 US disclosed
WO-2012013765-A1 ENZYMATIC ACYLATION METHOD USING AN ACYLPHOSPHONATE DONOR PCAS BIOSOLUTION (FR) 2012-02-02 WO disclosed