SCHEMBL28064466

SCHEMBL28064466

COC(=O)C1CCN(OC(=O)C(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
TP53 P04637 1/20 0.50
ALDH1A1 P00352 5/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28120085 0.88 SMN1; SMN2 (0.44) SMN1; SMN2TP53ALDH1A1POLBGAA
SCHEMBL6209477 0.84 SMN1; SMN2 (0.49) SMN1; SMN2TP53ALDH1A1POLBGAA
SCHEMBL27643661 0.81 HPGD (0.36) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL27566300 0.81 HPGD (0.36) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL27987960 0.81 MAPT (0.54) ALDH1A1POLBGAAKDM4EMAPT
SCHEMBL27751949 0.81 HPGD (0.34) SMN1; SMN2HPGD
SCHEMBL27915375 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1POLBGAAPKM
SCHEMBL6641916 0.79 SMN1; SMN2 (0.59) SMN1; SMN2TP53ALDH1A1POLBGAA
SCHEMBL27968794 0.79 PTPN2 (0.37) SMN1; SMN2ALDH1A1GAAKDM4EKMT2A
SCHEMBL769526 0.79 TP53 (0.58) SMN1; SMN2TP53ALDH1A1POLBGAA

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
CN-105461693-A Crth2 antagonist compound and use thereof GUANGDONG HEC PHARMACEUTICAL 2016-04-06 CN disclosed