SCHEMBL27917801

SCHEMBL27917801

CC(=O)N(CCC1CN(C(=O)O)C1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.60
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.42
ICMT O60725 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8395278 0.81 ACHE (0.67) ACHEALDH1A1HTTMEN1CYP3A4
SCHEMBL10099720 0.76 MEN1 (0.62) ACHEALDH1A1HTTICMTMEN1
SCHEMBL5276311 0.73 ACHE (0.78) ACHE
SCHEMBL2069635 0.71 TP53 (0.59) ACHEALDH1A1HTTICMTMEN1
SCHEMBL6629576 0.71 ALDH1A1 (0.52) ACHEALDH1A1HTTICMTMEN1
SCHEMBL8329334 0.70 ALDH1A1 (0.50) ACHEALDH1A1HTTICMTMEN1
SCHEMBL18457436 0.70 MEN1 (0.55) ACHEALDH1A1HTTICMTMEN1
SCHEMBL8041935 0.70 ALDH1A1 (0.50) ACHEALDH1A1HTTICMTMEN1
SCHEMBL10460057 0.70 ADRA2C (0.53) ACHEALDH1A1HTTICMTMEN1
SCHEMBL27526983 0.70 TP53 (0.53) ACHEALDH1A1HTTICMTMEN1

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-103068797-A Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application SANOFI SA 2013-04-24 CN disclosed