SCHEMBL873598

SCHEMBL873598

COCOc1ccc(CCC(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
MAOA P21397 1/20 0.55
SLC6A2 P23975 1/20 0.55
RAB9A P51151 1/20 0.55
SLC6A3 Q01959 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 3/20 0.52
FFAR1 O14842 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
F2RL1 P55085 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL8819093 0.82 SLC5A1 (0.59) LMNAKDM4ENPC1TP53CYP1A2
SCHEMBL15887344 0.82 POLB (0.56) KDM4ENPC1CYP1A2RAB9ASMN1; SMN2
SCHEMBL1334 0.82 SMN1; SMN2 (0.72) LMNAKDM4ENPC1TP53CYP1A2
SCHEMBL2468017 0.82 SMN1; SMN2 (0.72) LMNAKDM4ENPC1TP53CYP1A2
SCHEMBL16972780 0.81 CYP4F2 (0.62) LMNAMAPTFFAR1L3MBTL1KMT2A
SCHEMBL2097631 0.81 ALDH1A1 (0.53) LMNAKDM4ENPC1TP53CYP1A2
SCHEMBL5523367 0.80 FFAR1 (0.56) LMNASLC6A3SMN1; SMN2FFAR1L3MBTL1
SCHEMBL9812051 0.80 LMNA (0.53) LMNAKDM4ENPC1TP53CYP1A2
SCHEMBL874155 0.80 FFAR1 (0.41) LMNAFFAR1L3MBTL1F2RL1
SCHEMBL10937896 0.79 LMNA (0.57) LMNAKDM4ENPC1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021125418-A1 PHENOLIC COMPOUND, SKIN-WHITENING COSMETIC COMPOSITION COMPRISING SAME, AND SKIN-WHITENING COSMETIC PRODUCT (주)셀인바이오 2021-06-24 WO disclosed
EP-2619184-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of the University of Michigan (US) 2013-07-31 EP disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed