SCHEMBL10434159

SCHEMBL10434159

COC1(C)CCc2cc(C)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ATM Q13315 3/20 0.36
HTT P42858 1/20 0.36
COXFA4 O00483 1/20 0.35
AKT1 P31749 2/20 0.35
PKM P14618 1/20 0.34
RXRA P19793 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
PDE10A Q9Y233 1/20 0.33
OPRM1 P35372 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ADRA2A P08913 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL9749407 0.83 AKT1 (0.51) KDM4ECOXFA4AKT1RXRAMAPT
SCHEMBL6849624 0.80 PKM (0.49) COXFA4AKT1PKMNPC1MAPT
SCHEMBL10527939 0.78 SIGMAR1 (0.41) OPRM1
SCHEMBL14449323 0.77 AKT1 (0.36) KDM4EATMHTTCOXFA4AKT1
SCHEMBL9749678 0.76 ALDH1A1 (0.44) AKT1MAPTGAAHRH3
SCHEMBL9386634 0.75 HSD11B1 (0.34) KDM4EATMHTTCOXFA4RXRA
SCHEMBL14449820 0.75 KDM4E (0.36) KDM4EATMHTTAKT1PKM
SCHEMBL25513495 0.74 AKT1 (0.46) KDM4EATMHTTCOXFA4AKT1
SCHEMBL15280340 0.73 PKM (0.41) KDM4EATMHTTCOXFA4PKM
SCHEMBL9748973 0.73 ALDH1A1 (0.41) KDM4EAKT1MAPTOPRM1BCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354681-A2 Ultraviolet radiation absorbing naphthalenylidene compositions ICI AMERICAS INC. (US) 1990-02-14 EP disclosed
US-4889947-A SUNSCREEN LOTION ICI AMERICAS INC. (US) 1989-12-26 US disclosed