SCHEMBL4946472

SCHEMBL4946472

CCCCCCC(CCC)(CCC)OC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.46
PTPN11 Q06124 2/20 0.45
LTB4R Q15722 1/20 0.44
PLA2G2A P14555 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
NR1H4 Q96RI1 2/20 0.42
PLA2G4A P47712 1/20 0.42

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
SCHEMBL19856520 0.91 PLA2G4B (0.44) PLA2G4BPTPN11LTB4RPLA2G2ATP53
SCHEMBL4938672 0.86 TP53 (0.51) PLA2G4BTP53TSHRKMT2APLA2G4A
SCHEMBL17982633 0.86 TP53 (0.51) PLA2G4BTP53TSHRKMT2APLA2G4A
SCHEMBL19856519 0.85 SMN1; SMN2 (0.43)
SCHEMBL4401536 0.84 PLA2G4B (0.46) PLA2G4BPTPN11LTB4RPLA2G2ATP53
SCHEMBL18817713 0.83 TP53 (0.54) PLA2G4BTP53TSHRKMT2APLA2G4A
SCHEMBL17982652 0.83 NPC1 (0.46) PLA2G4BTP53TSHR
SCHEMBL2244314 0.79 MEN1 (0.48) PLA2G4BTP53TSHRKMT2A
SCHEMBL9180885 0.79 PTPN11 (0.47) PLA2G4BPTPN11PLA2G2ATP53TSHR
SCHEMBL29663544 0.79 TP53 (0.47) PLA2G4BPLA2G2ATP53TSHRPLA2G4A

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-8586784-B2 Method for continuous catalytic hydrogenation EVONIK OXENO GMBH (DE) 2013-11-19 US disclosed
US-7435848-B2 Method for preparing alicyclic carboxylic acids and their esters OXENO OLEFINCHEMIE GMBH (DE) 2008-10-14 US disclosed
US-20060167151-A1 Method for preparing alicyclic carboxylic acids and their esters OXENO OLEFINCHEMIE GMBH (DE) 2006-07-27 US disclosed
US-20060161017-A1 Method for continuous catalytic hydrogenation DEGUSSA AG (DE) 2006-07-20 US disclosed