SCHEMBL8345602

SCHEMBL8345602

CCN(CC)C(=O)c1ccccc1C[CH]Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HCRTR1 O43613 6/20 0.42
HCRTR2 O43614 6/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ABCC1 P33527 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5360904 0.84 HPGD (0.57) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL6647138 0.83 TP53 (0.55) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL1097237 0.80 TP53 (0.52) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL29822323 0.78 TP53 (0.69) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL610480 0.78 TP53 (0.69) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL4155173 0.78 TP53 (0.50) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL6772801 0.78 TP53 (0.50) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL7287054 0.78 HCRTR1 (0.60) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL8688316 0.78 TP53 (0.50) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL14919390 0.77 KEAP1 (0.49) KEAP1TP53TSHRMAPK1HPGD

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-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed