SCHEMBL7560973

SCHEMBL7560973

CCCCc1c(N)cc(O)c(CCCC)c1CCCC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
SKP2 Q13309 1/20 0.47
CYP19A1 P11511 1/20 0.46
TYR P14679 1/20 0.40
NOS2 P35228 1/20 0.38
ALOX5 P09917 5/20 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
SCHEMBL175278 0.94 CYP19A1 (0.53) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL27596786 0.79 HPGD (0.61) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6141996 0.78 HTT (0.59) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL29910107 0.78 HTT (0.59) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL840298 0.77 SKP2 (0.42) SKP2CYP19A1ALOX5
Phosphine SCHEMBL27961207 0.76 HTT (0.57) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL3319483 0.76 HTT (0.67) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL11818683 0.76 HTT (0.47) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL27791051 0.74 HTT (0.55) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9283660 0.74 TYR (0.47) NPC1HPGDMAPK1HTTRAB9A

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
EP-0864557-B1 Industrial process for the continuous production of sodium orthohydroxymandelate CLARIANT FRANCE SA (FR) 2002-01-30 EP disclosed
EP-0864557-A1 Industrial process for the continuous production of sodium orthohydroxymandelate Clariant (France) S.A. (FR) 1998-09-16 EP disclosed