SCHEMBL22729026

SCHEMBL22729026

CCOC(=O)C(C)(CC)CC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
PKM P14618 3/20 0.35
MMP8 P22894 1/20 0.35
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
CNR2 P34972 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7435863 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL3990055 0.81 MEN1 (0.66) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL6383219 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL20211699 0.80 MEN1 (0.53) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL16841345 0.79 MEN1 (0.37) MEN1KMT2AALDH1A1TSHRCYP4F2
Ammonia Solution, Strong SCHEMBL20957487 0.79 CYP4F2 (0.44) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL6733638 0.78 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRCYP4F2
Ammonia Solution, Strong SCHEMBL376169 0.77 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL7441186 0.76 MMP8 (0.55) MEN1KMT2AALDH1A1TSHRMMP8
SCHEMBL23389053 0.76 MEN1 (0.49) MEN1KMT2AALDH1A1TSHRCYP4F2

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
EP-3744718-A1 HIGHLY ACTIVE CSF1R INHIBITOR COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2020-12-02 EP disclosed