SCHEMBL11679280

SCHEMBL11679280

CCCCCCCCCCCCCCCCOC(=O)[C@H](CCSC)NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 6/20 0.47
NOD1 Q9Y239 2/20 0.44
EPHX1 P07099 1/20 0.41
TSHR P16473 2/20 0.41
TLR2 O60603 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAAA Q02083 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40

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
SCHEMBL109880 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL121327 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL121326 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL109881 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL11679276 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL114111 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL111416 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL114110 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL112094 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL112093 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2

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
US-4016287-A COSMETIC AND ANTIINFLAMMATORY BOEHRINGER INGELHEIM GMBH (DT) 1977-04-05 US disclosed