SCHEMBL21294325

SCHEMBL21294325

CCCOc1ccc(C=CC(=O)O)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.65
CYP1B1 Q16678 2/20 0.65
KDM4E B2RXH2 2/20 0.59
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
DPP4 P27487 2/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LY96 Q9Y6Y9 1/20 0.53
TNFRSF1A P19438 1/20 0.52
HDAC8 Q9BY41 4/20 0.51
GAA P10253 1/20 0.51
BACE1 P56817 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL13168891 0.93 MAPT (0.61) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL13168892 0.92 MAPT (0.60) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL13168896 0.89 MAPT (0.57) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL13168939 0.89 MAPT (0.57) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL1712815 0.89 POLB (0.55) CYP1A1CYP1B1KDM4EMAPTALDH1A1
SCHEMBL13168899 0.89 MAPT (0.57) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL13168894 0.85 MAPT (0.58) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL13186141 0.85 MAPT (0.52) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL79457 0.84 MAPT (0.79) CYP1A1CYP1B1KDM4EMAPTALDH1A1
SCHEMBL27892982 0.84 MAPT (0.79) CYP1A1CYP1B1KDM4EMAPTALDH1A1

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-20190262252-A1 OIL BASED COMPOSITION AND OIL BASED COSMETIC SHISEIDO COMPANY, LTD. (JP) 2019-08-29 US disclosed