SCHEMBL6466014

SCHEMBL6466014

COc1ccc(CC(CC(=O)ON)C(C)C)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.55
ALOX15 P16050 7/20 0.51
ALOX12 P18054 3/20 0.51
FOS P01100 1/20 0.46
TTR P02766 1/20 0.46
JUN P05412 1/20 0.46
NR3C1 P04150 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MMP1 P03956 1/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL21358535 0.78 ALOX15 (0.64) LDHAALOX15ALOX12FOSTTR
SCHEMBL21358091 0.78 REN (0.58)
SCHEMBL28959132 0.75 MTNR1A (0.54) LDHAALOX15ALOX12FOSTTR
SCHEMBL30008644 0.75 MTNR1A (0.54) LDHAALOX15ALOX12FOSTTR
SCHEMBL6466011 0.75 LDHA (0.57) LDHAALOX15ALOX12FOSTTR
Terameprocol SCHEMBL2356280 0.74 ALOX15 (0.77) LDHAALOX15ALOX12FOSTTR
Terameprocol SCHEMBL194588 0.74 ALOX15 (0.77) LDHAALOX15ALOX12FOSTTR
Terameprocol SCHEMBL29794162 0.74 ALOX15 (0.77) LDHAALOX15ALOX12FOSTTR
Terameprocol SCHEMBL10060164 0.74 ALOX15 (0.77) LDHAALOX15ALOX12FOSTTR
Terameprocol SCHEMBL30094578 0.74 ALOX15 (0.77) LDHAALOX15ALOX12FOSTTR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 EP disclosed