SCHEMBL8948504

SCHEMBL8948504

CC1(C)C=Cc2c(Cl)cc(F)c(N)c2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.36
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8948568 0.75 PDE4D (0.34) PDE4DHSD17B10CA12CA1CA7
SCHEMBL9218811 0.71 CA1 (0.33) CA1CA9TSHR
SCHEMBL8948545 0.69 PDE4D (0.33) PDE4DNPC1POLBMAPTRAB9A
SCHEMBL8948599 0.68 CA1 (0.31) CA1CA9
SCHEMBL8948747 0.67 HTR2A (0.33) CA1CA9ALDH1A1CYP2C19
SCHEMBL8948707 0.65 GRM2 (0.34) PDE4DLMNAHPGD
SCHEMBL8071247 0.61 CA12 (0.42) PDE4DNPC1POLBMAPTXBP1
SCHEMBL28158185 0.61 CA1 (0.42) POLBCA1CA9ALDH1A1
SCHEMBL8299325 0.60 MAPT (0.39) MAPTCA1CA9KDM4EMEN1
SCHEMBL9222358 0.60 CA1 (0.35) NPC1MAPTRAB9ACA1CA9

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
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed