SCHEMBL9815735

SCHEMBL9815735

CCCCOc1ccc(COc2cc[c]cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.49
LTA4H P09960 3/20 0.49
NR5A1 Q13285 1/20 0.49
CHRNA7 P36544 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
PDE4A P27815 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 1/20 0.45
AR P10275 1/20 0.44

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
SCHEMBL9815638 0.95 NR5A1 (0.57) LTA4HNR5A1SMN1; SMN2TSHR
SCHEMBL9866565 0.95 NR5A1 (0.57) LTA4HNR5A1SMN1; SMN2TSHR
SCHEMBL49992 0.89 LTA4H (0.55) LTA4HNR5A1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL8560021 0.88 HRH3 (0.50) LTA4HKDM4EHIF1A
SCHEMBL28106770 0.87 LTA4H (0.53) LTA4HNR5A1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL27649786 0.87 LTA4H (0.53) LTA4HNR5A1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL10708237 0.84 CYP1A2 (0.50) LTA4HNR5A1KDM4ECYP1A2CYP2D6
SCHEMBL2089077 0.83 LTA4H (0.66) LTA4HNR5A1CYP1A2CYP2D6TSHR
SCHEMBL60563 0.83 NR5A1 (0.57) LTA4HNR5A1TSHR
SCHEMBL9815723 0.81 LTA4H (0.72) APPLTA4HNR5A1KDM4ECYP1A2

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-0120463-B1 ANTHRAQUINONE DYES AND LIQUID CRYSTAL COMPOSITIONS INCLUDING THE SAME HITACHI, LTD. (JP) 1991-11-06 EP disclosed
US-4610804-A Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1986-09-09 US disclosed