SCHEMBL5745263

SCHEMBL5745263

CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)CO)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ANPEP P15144 1/20 0.44
ALDH1A1 P00352 1/20 0.43
FPR2 P25090 3/20 0.43
MME P08473 1/20 0.43
ATM Q13315 1/20 0.43
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PYGL P06737 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
SCHEMBL5742219 0.88 MME (0.56) SMN1; SMN2ALDH1A1MMELMNAPOLB
SCHEMBL5743477 0.86 MME (0.50) MEN1KMT2AANPEPMME
SCHEMBL5743858 0.82 MME (0.54) MEN1KMT2AMMELMNAPOLB
SCHEMBL5743711 0.82 MME (0.54) ANPEPMME
SCHEMBL5743698 0.80 MME (0.51) ANPEPMME
SCHEMBL5741889 0.78 MME (0.47) MEN1KMT2AMMELMNAPOLB
SCHEMBL6307443 0.78 ALDH1A1 (0.61) CYP2C9CYP2C19MEN1KMT2AALDH1A1
SCHEMBL5744082 0.77 MME (0.57) ANPEPALDH1A1MMELMNA
SCHEMBL5743248 0.77 MME (0.44) KMT2ASMN1; SMN2ALDH1A1MMEATM
SCHEMBL5742216 0.77 MME (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1MME

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
EP-1427423-B9 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2017-12-20 EP claimed
EP-1427423-B1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2006-12-27 EP claimed