SCHEMBL1189045

SCHEMBL1189045

CC1(C)C(Cc2ccccc2)N(C(=O)O)C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.42
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
ELANE P08246 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2B P41595 1/20 0.37
MAPK14 Q16539 1/20 0.37
TACR3 P29371 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL28485250 0.75 ALDH1A1 (0.42) ABCB1ALDH1A1HSD17B10KMT2AMEN1
SCHEMBL23458987 0.75 ALDH1A1 (0.42) ABCB1ALDH1A1HSD17B10KMT2AMEN1
SCHEMBL23458984 0.75 ALDH1A1 (0.42) ABCB1ALDH1A1HSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL11731499 0.72 KMT2A (0.39) ALDH1A1KMT2AMEN1GAARECQL
SCHEMBL17542008 0.70 ABCB1 (0.43) ABCB1KMT2AMEN1GAACYP2C9
SCHEMBL28879326 0.70 ABCB1 (0.43) ABCB1KMT2AMEN1GAACYP2C9
SCHEMBL17610289 0.69 ABCB1 (0.43) ABCB1ALDH1A1ELANETACR3PSEN1
SCHEMBL1189349 0.69 ABCB1 (0.43) ABCB1ALDH1A1ELANETACR3PSEN1
SCHEMBL27219845 0.69 AGTR2 (0.41)
SCHEMBL1226984 0.69 ALDH1A1 (0.39) ABCB1ALDH1A1HSD17B10KMT2AMEN1

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-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed