SCHEMBL27486347

SCHEMBL27486347

CC(Nc1ccc(O)c(Cl)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
EPHX2 P34913 1/20 0.43
CA2 P00918 5/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 2/20 0.41
CA1 P00915 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.40
HSD17B3 P37058 1/20 0.40
HSD17B2 P37059 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
SCHEMBL736304 0.86 MMP8 (0.53) MAPTLMNAEPHX2CA2GAA
SCHEMBL733499 0.86 MMP8 (0.53) MAPTLMNAEPHX2CA2GAA
SCHEMBL1555336 0.86 MMP8 (0.53) MAPTLMNAEPHX2CA2GAA
SCHEMBL242555 0.84 KDM4E (0.43) MAPTLMNACA2GAACA1
SCHEMBL16269615 0.84 KDM4E (0.43) MAPTLMNACA2GAACA1
SCHEMBL4873009 0.84 KDM4E (0.43) MAPTLMNACA2GAACA1
SCHEMBL242556 0.84 KDM4E (0.43) MAPTLMNACA2GAACA1
SCHEMBL29715211 0.84 KDM4E (0.43) MAPTLMNACA2GAACA1
SCHEMBL29180082 0.83 MAPT (0.57) MAPTALDH1A1EPHX2NPSR1GAA
Methane SCHEMBL10504286 0.83 KDM4E (0.42) MAPTLMNACA2GAACA1

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
CN-1165337-C Synthetic cryptophycins ���Ĵ���ѧ 2004-09-08 CN disclosed
CN-1183726-A Synthetic cryptophycins UNIV HAWAII (US) 1998-06-03 CN disclosed