SCHEMBL28758286

SCHEMBL28758286

Cc1ccc(C(C)C(C)CC(C)(N)C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.38
ACHE P22303 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 2/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 2/20 0.36
STAT3 P40763 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
EGFR P00533 1/20 0.36
FYN P06241 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 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
SCHEMBL27665339 0.88 BLM (0.53) BLMLMNACYP1A2ALDH1A1KDM4E
SCHEMBL27665263 0.86 PRCP (0.45) BLMLMNADPP4DPP7CYP1A2
SCHEMBL27665715 0.86 MME (0.41) BLMDPP4DPP8DPP7CYP1A2
SCHEMBL27644323 0.84 KDM4E (0.39) BLMCYP1A2ALDH1A1KDM4EMEN1
SCHEMBL28761408 0.84 ACHE (0.47) BLMACHEALOX5LMNACYP1A2
SCHEMBL27644015 0.84 BLM (0.36) BLMLMNACYP1A2ALDH1A1KDM4E
SCHEMBL27665405 0.84 DPP4 (0.43) DPP4DPP8DPP7CNR2CYP2D6
SCHEMBL27665619 0.82 ACP3 (0.39) BLMCYP1A2ALDH1A1KDM4EMEN1
SCHEMBL27644024 0.81 TDP1 (0.52) BLMLMNACYP1A2ALDH1A1KDM4E
SCHEMBL28758277 0.80 ALDH1A1 (0.43) ALDH1A1POLBHPGDSMN1; SMN2

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