SCHEMBL19976515

SCHEMBL19976515

CC(C)CCCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.64
HTT P42858 1/20 0.63
CPB1 P15086 1/20 0.61
CPB2 Q96IY4 1/20 0.61
FOLH1 Q04609 3/20 0.60
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DPP8 Q6V1X1 1/20 0.58
DPP7 Q9UHL4 1/20 0.58
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
ANPEP P15144 1/20 0.56

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
SCHEMBL13251388 0.99 HTT (0.65) TGM2HTTCPB1CPB2FOLH1
SCHEMBL10032568 0.94 HTT (0.67) TGM2HTTCPB1CPB2FOLH1
Ammonia Solution, Strong SCHEMBL8060380 0.93 HTT (0.65) TGM2HTTCPB1CPB2FOLH1
SCHEMBL7378562 0.88 LMNA (0.65) HTTCPB1CPB2LMNASMN1; SMN2
SCHEMBL15346534 0.88 HTT (0.79) TGM2HTTFOLH1LMNASMN1; SMN2
SCHEMBL9340146 0.88 HTT (0.79) TGM2HTTFOLH1LMNASMN1; SMN2
SCHEMBL9874334 0.88 HTT (0.79) TGM2HTTFOLH1LMNASMN1; SMN2
SCHEMBL24845248 0.88 DPP8 (0.63) TGM2HTTCPB1CPB2FOLH1
SCHEMBL13471242 0.88 FOLH1 (0.62) TGM2HTTCPB1CPB2FOLH1
SCHEMBL17250893 0.88 FOLH1 (0.62) TGM2HTTCPB1CPB2FOLH1

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-9919026-B2 Vasopressin formulations for use in treatment of hypotension PAR PHARMACEUTICAL, INC. (US) 2018-03-20 US disclosed