SCHEMBL18719782

SCHEMBL18719782

C=CC1CC(C=C)C(COC(=O)c2ccc3c(c2)-c2ccccc2C(=O)C3=O)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.44
S100A4 P26447 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPRC P08575 6/20 0.41
MAPK1 P28482 1/20 0.36
CTSL P07711 1/20 0.36
PTPN13 Q12923 1/20 0.36
PPM1B O75688 1/20 0.35
TTR P02766 1/20 0.34

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
SCHEMBL18719784 0.84 MAPT (0.51) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL18719781 0.75 MAPT (0.50) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL18719783 0.74 MAPT (0.54) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL13233312 0.74 CYP1A2 (0.37) MAPTLMNACYP1A2CYP2D6CYP2C19
SCHEMBL13018660 0.74 SCARB1 (0.34) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL11589916 0.70 MAPT (0.58) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL12920426 0.68 NPC1 (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18719780 0.67 S100A4 (0.41) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL18719774 0.67 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL13201217 0.67 POLB (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2

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