SCHEMBL16613183

SCHEMBL16613183

CCCOc1ccc(C(=O)Nc2cc[c]cc2)cc1OCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.54
MAPT P10636 7/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
CREBBP Q92793 1/20 0.47
SMPD1 P17405 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
MCL1 Q07820 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
TP53 P04637 1/20 0.46
HPSE Q9Y251 1/20 0.45

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
SCHEMBL4191882 0.81 MAPT (0.53) PDE4DMAPTHSD17B10LMNACREBBP
SCHEMBL4024140 0.79 HDAC1 (0.57) PDE4DMAPTHSD17B10LMNASMN1; SMN2
SCHEMBL27796809 0.79 MEN1 (0.69) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL8387145 0.77 CNR2 (0.66) MAPTLMNASMPD1HDAC1HDAC2
SCHEMBL566516 0.74 POLB (0.66) MAPTHSD17B10LMNACREBBPALDH1A1
SCHEMBL9662476 0.74 SMN1; SMN2 (0.59) PDE4DMAPTHSD17B10SMN1; SMN2CREBBP
SCHEMBL8420347 0.73 MAPT (0.59) PDE4DMAPTHSD17B10LMNASMN1; SMN2
SCHEMBL4020644 0.73 HDAC1 (0.58) PDE4DMAPTLMNASMN1; SMN2SMPD1
SCHEMBL11250057 0.73 SMPD1 (0.65) MAPTLMNASMPD1ALDH1A1KDM4E
SCHEMBL27711055 0.72 MAPK1 (0.64) PDE4DMAPTHSD17B10SMN1; SMN2SMPD1

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
EP-1874722-B1 HYDROXAMIC ACID DERIVATIVES AND THE PREPARATION METHOD THEREOF AMOREPACIFIC CORP (KR) 2015-04-08 EP disclosed