SCHEMBL18719781

SCHEMBL18719781

O=C(OCC1CC2C=CC1C2)c1ccc2c(c1)-c1ccccc1C(=O)C2=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.46
KDM4E B2RXH2 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTPRC P08575 6/20 0.44
S100A4 P26447 1/20 0.43
CTSL P07711 1/20 0.38
PTPN13 Q12923 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
TTR P02766 1/20 0.36
PKM P14618 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
SCHEMBL18719783 0.83 MAPT (0.54) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL417008 0.81 POLB (0.43) ALDH1A1NPC1RAB9AKDM4ETDP1
SCHEMBL200309 0.81 ALDH1A1 (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14435505 0.80 PPM1B (0.47) ALDH1A1NPC1KDM4ETDP1PKM
SCHEMBL4403504 0.80 PPM1B (0.47) ALDH1A1NPC1KDM4ETDP1PKM
SCHEMBL18735685 0.80 ALDH1A1 (0.37) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL200865 0.78 KDM4E (0.47) ALDH1A1LMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL203002 0.78 FFAR4 (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19133375 0.77 CES2 (0.38) ALDH1A1RAB9ASMN1; SMN2KDM4ETDP1
SCHEMBL10023890 0.75 MAPT (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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
US-20170104214-A1 FUSED-RING QUINONE-SUBSTITUTED POLYNORBORNENE, ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY WASEDA UNIVERSITY (JP) 2017-04-13 US disclosed
US-20170104214-A1 FUSED-RING QUINONE-SUBSTITUTED POLYNORBORNENE, ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY WASEDA UNIVERSITY (JP) 2017-04-13 US disclosed