SCHEMBL19186264

SCHEMBL19186264

CC(C)CCNC(=O)CN1CCN(CC=O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 1/20 0.38
PSMB5 P28074 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL24507222 0.90 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TP53PSMB5SIGMAR1
SCHEMBL25040447 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2SIGMAR1TDP1MEN1
SCHEMBL25964301 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TP53SIGMAR1TDP1
SCHEMBL24590552 0.81 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TP53SIGMAR1TDP1
SCHEMBL23824133 0.80 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TP53SIGMAR1TDP1
SCHEMBL21319581 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL12327463 0.79 HSD17B10 (0.39) ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL12327042 0.79 HSD17B10 (0.39) ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL24540412 0.79 HSD17B10 (0.39) ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL25576425 0.79 HSD17B10 (0.39) ALDH1A1SMN1; SMN2TDP1KDM4E

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-9717803-B2 Enzymatic conjugation of polypeptides INNATE PHARMA (FR) 2017-08-01 US disclosed