SCHEMBL8445986

SCHEMBL8445986

CC(C)(NC(CCn1ccnc1)OC(=O)CC(O)(CC(=O)O)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TBXAS1 P24557 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
Citric Acid SCHEMBL8445980 0.81 LMNA (0.54) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9368014 0.78 SLC13A5 (0.35) TBXAS1
SCHEMBL8444481 0.69 SMN1; SMN2 (0.50) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8446915 0.68 SMN1; SMN2 (0.54) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8447429 0.67 SMN1; SMN2 (0.53) LMNATBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL8444567 0.67 CYP3A4 (0.43) LMNATBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL8444531 0.66 SMN1; SMN2 (0.52) LMNATBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL8443962 0.66 LMNA (0.56) LMNACYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2887150 0.65 LMNA (0.55) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8444094 0.65 TP53 (0.52) LMNACYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed