SCHEMBL4581994

SCHEMBL4581994

CCC(CCO)OC1CC(C)CCC1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TRPM8 Q7Z2W7 3/20 0.41
TRPA1 O75762 2/20 0.41
LMNA P02545 3/20 0.40
EPHX1 P07099 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 2/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
P2RX4 Q99571 1/20 0.36

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
SCHEMBL4582679 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EAPOBEC3AAPOBEC3GTRPM8
SCHEMBL118272 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EAPOBEC3AAPOBEC3GTRPM8
SCHEMBL6353121 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EAPOBEC3AAPOBEC3GTRPM8
SCHEMBL23187810 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EAPOBEC3AAPOBEC3GTRPM8
SCHEMBL6139335 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EAPOBEC3AAPOBEC3GTRPM8
SCHEMBL536505 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EAPOBEC3AAPOBEC3GTRPM8
SCHEMBL301918 0.80 LMNA (0.50) ALDH1A1KDM4EAPOBEC3AAPOBEC3GTRPM8
SCHEMBL291142 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EAPOBEC3AAPOBEC3GTRPM8
SCHEMBL22130836 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EAPOBEC3AAPOBEC3GTRPM8
SCHEMBL12674222 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EAPOBEC3AAPOBEC3GTRPM8

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-1880705-A2 Brightening and/or colouring composition with improved product sensation HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP disclosed