SCHEMBL8325102

SCHEMBL8325102

CCOc1ccc(C(NC(=O)c2ccccc2)c2cccc(/C=C/C(=O)NOC3CCCCO3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.40
EGFR P00533 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
METAP2 P50579 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 1/20 0.37
P2RX3 P56373 1/20 0.36
F2 P00734 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
SCHEMBL8321150 0.82 MGLL (0.39) ALDH1A1LMNAHTTHPGDMAPT
SCHEMBL8320461 0.81 EGFR (0.52) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL8324894 0.79 KMT2A (0.50) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL4258903 0.74 MGLL (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL4258906 0.74 MGLL (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL1579799 0.74 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AHPGDMAOB
SCHEMBL28388559 0.74 P4HB (0.47) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL1579334 0.74 NPSR1 (0.43) ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL1579332 0.74 NPSR1 (0.43) ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL8320891 0.74 KMT2A (0.50) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1

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-2004071401-A2 HYDROXAMIC ACID DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS (HDCA) FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-26 WO disclosed