SCHEMBL8948545

SCHEMBL8948545

CC1(C)C=Cc2ccc(F)c(N)c2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.33
HTR2C P28335 1/20 0.32
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
CA12 O43570 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CA7 P43166 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
ODC1 P11926 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
PPARD Q03181 1/20 0.30

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
SCHEMBL8948504 0.69 PDE4D (0.36) PDE4DHSD17B10KDM4ENPC1CA12
SCHEMBL8722880 0.68 TYR (0.41) PDE4DKDM4EALDH1A1MAPTHPGD
SCHEMBL9223266 0.66 TSHR (0.38) ALDH1A1
SCHEMBL11015336 0.64 ODC1 (0.44) PDE4DKDM4ECA12CA1CA7
SCHEMBL4454398 0.64 ODC1 (0.50) PDE4DKDM4ECA12ALDH1A1CA1
SCHEMBL5365370 0.64 PPARD (0.38) PDE4DHTR2CHSD17B10KDM4ENPC1
SCHEMBL3193312 0.64 ODC1 (0.47) HSD17B10KDM4ENPC1CA12ALDH1A1
SCHEMBL22412244 0.63 ALDH1A1 (0.39) PDE4DHSD17B10KDM4ECA12ALDH1A1
SCHEMBL8948775 0.63 ALDH1A1 (0.39) KDM4EALDH1A1MAPT
SCHEMBL10772005 0.63 HIF1A (0.37) PDE4DHSD17B10KDM4ENPC1CA12

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