SCHEMBL6137743

SCHEMBL6137743

CC1CCC(C(C)C)C(OC(C(O)CO)C2CC(C)CCC2C(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TRPA1 O75762 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
GAA P10253 1/20 0.41
EPHX1 P07099 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP19A1 P11511 2/20 0.39
NTSR1 P30989 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
P2RX4 Q99571 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL5336225 0.86 TRPM8 (0.44) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1481096 0.81 ALDH1A1 (0.49) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1031341 0.80 EPHX1 (0.41) ALDH1A1LMNATRPA1TRPM8EPHX1
SCHEMBL584338 0.80 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL6139335 0.80 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL23187810 0.80 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1659675 0.78 TRPM8 (0.48) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL7793286 0.77 TRPA1 (0.52) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1617999 0.77 TRPA1 (0.52) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL536505 0.76 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G

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-1067896-B1 TOPICAL COMPOSITIONS COMPRISING ASCORBYL-PHOSPHORYL-CHOLESTEROL AVON PROD INC (US) 2005-07-27 EP claimed