SCHEMBL8770321

SCHEMBL8770321

Cc1cc(OCC(=O)OC(C)C)ccc1NC(=O)NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 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
SCHEMBL8770325 0.86 MAPT (0.39) MCHR1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8770375 0.86 RAB9A (0.48) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8770335 0.85 MCHR1 (0.41) MCHR1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8770184 0.85 ITGB3 (0.43) MCHR1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8770323 0.75 KMT2A (0.52) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL8770181 0.75 KMT2A (0.52) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL8770347 0.74 EPHX2 (0.51) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8770298 0.72 MAPT (0.39) MCHR1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8770268 0.72 MAPT (0.39) MCHR1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8770581 0.72 MAPT (0.48) MAPTRAB9ANPC1ALDH1A1KDM4E

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-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP disclosed