SCHEMBL28092003

SCHEMBL28092003

Cc1c(C)n(CCCCl)c2ccc(C(=O)O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
POLB P06746 1/20 0.48
RAD52 P43351 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
CNR2 P34972 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AKT1 P31749 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
ROCK1 Q13464 1/20 0.44
CDC42BPA Q5VT25 1/20 0.44

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
SCHEMBL16741926 0.86 RAD52 (0.54) PPARGPOLBRAD52ALDH1A1HPGD
SCHEMBL18263084 0.86 PPARG (0.49) PPARGALDH1A1MEN1KMT2ATDP1
SCHEMBL18262994 0.85 PPARG (0.48) PPARGPOLBRAD52ALDH1A1MEN1
SCHEMBL18966441 0.85 HPGD (0.66) PPARGPOLBRAD52ALDH1A1HPGD
SCHEMBL18263009 0.84 PPARG (0.47) PPARGPOLBRAD52ALDH1A1MEN1
SCHEMBL18941207 0.84 RAD52 (0.61) PPARGPOLBRAD52ALDH1A1HPGD
SCHEMBL27542798 0.83 RAB9A (0.54) PPARGPOLBRAD52ALDH1A1HPGD
SCHEMBL335702 0.81 RAB9A (0.63) PPARGALDH1A1HPGDRAB9AMEN1
SCHEMBL18941094 0.81 RAD52 (0.58) PPARGPOLBRAD52CNR2RAB9A
SCHEMBL27734727 0.80 PPARG (0.74) PPARGRAD52ALDH1A1MEN1KMT2A

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
CN-105916841-A Functionalised and substituted indoles as anti-cancer agents 诺沃根公司 2016-08-31 CN disclosed