SCHEMBL8726249

SCHEMBL8726249

COC[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ccc(Oc2ccc(N(CCCl)CCCl)c(C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 13/20 0.41
LPAR5 Q9H1C0 10/20 0.41
PTGES O14684 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RNF4 P78317 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
SCHEMBL8722093 0.75 MAPT (0.47) MEN1KMT2ANPC1RAB9A
SCHEMBL7711928 0.75 MCL1 (0.43) LPAR1LPAR5
SCHEMBL7715738 0.71 CA1 (0.44) MEN1KMT2A
SCHEMBL8728069 0.70 SMN1; SMN2 (0.38) PTGES
SCHEMBL8722150 0.69 CA2 (0.42)
SCHEMBL8727972 0.69 ALDH1A1 (0.43) NPC1RAB9A
SCHEMBL7711926 0.69 ESRRA (0.36) KMT2ARAB9A
SCHEMBL8726548 0.69 ALDH1A1 (0.43) NPC1RAB9A
SCHEMBL7717406 0.68 LPAR1 (0.33) LPAR1LPAR5
SCHEMBL1395690 0.67 ALDH1A1 (0.48) MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed