SCHEMBL21192544

SCHEMBL21192544

CCOc1ccc2cc3ccccc3cc2c1OCC.CCc1ccc2c(C)c3ccccc3c(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
ALOX5 P09917 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
DHFR P00374 1/20 0.34
IDO1 P14902 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
KIF11 P52732 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 2/20 0.33

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
Anthracene SCHEMBL10715579 0.83 ALOX5 (0.44) ALDH1A1KDM4EALOX5L3MBTL1IDO1
SCHEMBL754110 0.83 ALOX5 (0.44) ALDH1A1KDM4EALOX5L3MBTL1IDO1
SCHEMBL23089943 0.80 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1KDM4EALOX5
SCHEMBL27740250 0.75 NQO1 (0.55) CYP1A2CYP2A6ALDH1A1KDM4EALOX5
SCHEMBL27800237 0.74 TDP1 (0.49) CYP1A2ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL27803631 0.74 TDP1 (0.46) CYP1A2ALDH1A1KDM4EALOX5L3MBTL1
SCHEMBL28717629 0.74 ALOX5 (0.43) CYP1A2CYP2A6ALDH1A1KDM4EALOX5
SCHEMBL1070847 0.74 KIF11 (0.53) CYP1A2CYP2A6ALDH1A1L3MBTL1HPGD
SCHEMBL31601116 0.74 KIF11 (0.53) CYP1A2CYP2A6ALDH1A1L3MBTL1HPGD
SCHEMBL2847505 0.73 ALOX5 (0.51) ALDH1A1KDM4EALOX5L3MBTL1HPGD

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
EP-3515399-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION FOR SKIN TAUGHTENING, SKIN FIXATION AND WRINKLE REDUCTION Mayser Pharma AG (CH) 2019-07-31 EP disclosed