SCHEMBL10679686

SCHEMBL10679686

CC(C)c1cnc(C(=O)OC(=O)c2ncc(C(C)C)cc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ASPH Q12797 3/20 0.34
KDM8 Q8N371 3/20 0.34
DHODH Q02127 2/20 0.34
RIOX2 Q8IUF8 1/20 0.34
SORT1 Q99523 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33

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
SCHEMBL9327396 0.86 KDM4E (0.40) FABP3FABP4MEN1NPC1RAB9A
SCHEMBL9589132 0.78 GABRP (0.40) MEN1KMT2AKDM4EASPHKDM8
SCHEMBL26204900 0.76 KDM4E (0.40) FABP3FABP4MEN1NPC1RAB9A
SCHEMBL2805203 0.76 MGAM (0.40) MEN1KMT2AL3MBTL1KDM4EASPH
SCHEMBL9630611 0.75 GABRP (0.42) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL26726844 0.75 POLB (0.40) FABP3FABP4MEN1NPC1RAB9A
SCHEMBL8660093 0.75 ALDH1A1 (0.40) SMN1; SMN2L3MBTL1KDM4EDHODHSORT1
SCHEMBL24510627 0.73 FABP3 (0.40) FABP3FABP4NPC1RAB9ASMN1; SMN2
SCHEMBL14240074 0.73 EGLN1 (0.45) FABP3FABP4SMN1; SMN2KDM4EGABRA1
SCHEMBL8545718 0.72 KDM4E (0.37) MEN1KMT2AL3MBTL1KDM4EASPH

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-4748244-A HERBICIDE INTERMEDIATES CIBA-GEIGY CORPORATION (US) 1988-05-31 US disclosed