SCHEMBL27644259

SCHEMBL27644259

CCC(CC(C)(N)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 0.46
GABBR1 Q9UBS5 6/20 0.46
LMNA P02545 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
THRB P10828 2/20 0.46
CYP3A4 P08684 2/20 0.46
BLM P54132 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD3 P35462 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL27644758 0.86 BLM (0.38) LMNACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL27665369 0.86 BLM (0.53) LMNACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL27644628 0.85 GABBR2 (0.39) GABBR2GABBR1CYP1A2MEN1KMT2A
SCHEMBL19320567 0.84 CYP1A2 (0.45) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL27643920 0.83 ALDH1A1 (0.40) LMNAMEN1KMT2ATSHRNPSR1
SCHEMBL27665529 0.82 FFAR1 (0.39) HDAC8HDAC6
SCHEMBL27644593 0.81 CYP2C9 (0.41) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL27644227 0.79 SMN1; SMN2 (0.39) LMNACYP2C9CYP1A2CYP2D6MEN1
SCHEMBL27644860 0.79 TDP1 (0.52) LMNACYP1A2MEN1KMT2ACYP3A4
SCHEMBL27665263 0.79 PRCP (0.45) GABBR2GABBR1LMNACYP2C9CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN claimed
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN disclosed