SCHEMBL17898189

SCHEMBL17898189

COC(=O)c1cc(C)c(OC(=O)c2c3ccccc3[n+](C)c3ccccc23)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.45
ACHE P22303 5/20 0.39
PPARG P37231 1/20 0.38
TSHR P16473 1/20 0.38
KIF11 P52732 1/20 0.37
FTO Q9C0B1 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 3/20 0.36
CYP2C19 P33261 1/20 0.36
PDK2 Q15119 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 2/20 0.36
NR4A2 P43354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL12907529 0.88 TTR (0.38) PPARAACHELMNAMAPTCYP2C19
Bromide SCHEMBL8908965 0.87 TTR (0.37) PPARAACHELMNAMAPTCYP2C19
SCHEMBL6254465 0.84 L3MBTL1 (0.42) ACHEHPGDMAPTALDH1A1HTT
SCHEMBL641602 0.83 ACHE (0.32) PPARAACHELMNAMAPTCYP2C19
SCHEMBL17898186 0.83 PPARA (0.42) PPARAACHEPPARGTSHRKIF11
SCHEMBL31163697 0.83 ACHE (0.32) PPARAACHELMNAMAPTCYP2C19
SCHEMBL3901332 0.82 MAPT (0.36) ACHELMNAMAPTALDH1A1HTT
SCHEMBL13596778 0.82 SPHK2 (0.36) ACHETSHRMAPTALDH1A1KDM4E
SCHEMBL4192297 0.81 GAA (0.37) ACHELMNAHPGDMAPTCYP2C19
Bromide SCHEMBL7596648 0.81 SPHK2 (0.36) ACHETSHRMAPTALDH1A1KDM4E

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-20160195524-A1 Automated Assay THE UNIVERSITY OF STRATHCLYDE (GB) 2016-07-07 US disclosed