SCHEMBL7444472

SCHEMBL7444472

C[C@@H](C(=O)O)N(C(=O)CCc1cccnc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TBXAS1 P24557 11/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MLYCD O95822 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ADAMTS4 O75173 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7445267 0.87 MLYCD (0.55) LMNAMLYCDHTTMEN1KMT2A
SCHEMBL27627257 0.75 CHRNA7 (0.57) TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9555055 0.75 ALDH1A1 (0.50) LMNATSHRHTTMEN1KMT2A
SCHEMBL4068054 0.75 KMT2A (0.72) LMNATBXAS1CYP1A2CYP3A4CYP2C9
SCHEMBL11272120 0.74 ALDH1A1 (0.49) LMNATSHRMLYCDHTTMEN1
Hydrochloric Acid SCHEMBL27658720 0.74 TBXAS1 (0.56) TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8922653 0.73 ALDH1A1 (0.54) LMNATSHRMLYCDKDM4EHTT
SCHEMBL7769274 0.73 HTT (0.44) LMNATBXAS1CYP3A4CYP2C9CYP2C19
SCHEMBL6297866 0.72 TBXAS1 (0.55) TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9475090 0.72 PLOD2 (0.60) LMNATBXAS1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP disclosed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US disclosed
EP-0817795-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES INC. (CA) 1998-01-14 EP disclosed
WO-1996032408-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES, INC. (US) 1996-10-17 WO disclosed