SCHEMBL20577003

SCHEMBL20577003

CCCCCCCCCC(=O)NCc1ccc2c(c1)OCO2.CCCCCCCCCC(=O)Nc1ccc(CCC(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
TP53 P04637 2/20 0.52
POLB P06746 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL17770653 0.87 TRPV1 (0.65) KMT2AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL21998935 0.87 TRPV1 (0.65) KMT2AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL12980467 0.87 TRPV1 (0.65) KMT2AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL21998898 0.87 TRPV1 (0.65) KMT2AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL21998891 0.87 TRPV1 (0.65) KMT2AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL21998677 0.81 ENPP2 (0.64) ALDH1A1POLBHDAC1HDAC2HPGD
SCHEMBL21998660 0.81 ENPP2 (0.64) ALDH1A1POLBHDAC1HDAC2HPGD
SCHEMBL21998692 0.81 ENPP2 (0.64) ALDH1A1POLBHDAC1HDAC2HPGD
SCHEMBL21998934 0.79 EPHX2 (0.73) KMT2AALDH1A1MEN1TRPV1HPGD
SCHEMBL29196210 0.77 HPGD (0.70) KMT2AALDH1A1LMNAMEN1SMN1; SMN2

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
WO-2018218281-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-12-06 WO disclosed