SCHEMBL28385334

SCHEMBL28385334

CCN(CC)c1ccccc1CC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
AR P10275 1/20 0.42
TPH1 P17752 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 4/20 0.35
LMNA P02545 1/20 0.35
AKR1B1 P15121 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL9515865 0.85 AKR1B1 (0.52) ARTPH1MEN1KMT2ANPC1
SCHEMBL3329126 0.81 GAA (0.48) L3MBTL1ARALDH1A1TSHRCYP3A4
SCHEMBL462452 0.80 AR (0.49) L3MBTL1ARTPH1MEN1KMT2A
Hydrochloric Acid SCHEMBL5510044 0.78 AR (0.47) ARTPH1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL31500442 0.78 AR (0.47) ARTPH1MEN1KMT2ANPC1
SCHEMBL6805430 0.77 L3MBTL1 (0.57) L3MBTL1ALDH1A1CYP3A4LMNAAKR1B1
SCHEMBL7674635 0.76 AR (0.46) ARTPH1MEN1KMT2ANPC1
SCHEMBL5317695 0.76 AR (0.46) ARTPH1MEN1KMT2ANPC1
SCHEMBL7150622 0.76 L3MBTL1 (0.52) L3MBTL1ALDH1A1CYP3A4LMNAAKR1B1
SCHEMBL1241839 0.76 AR (0.53) L3MBTL1ARTPH1MEN1KMT2A

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
CN-111067900-A Compounds for treating or preventing obesity or related diseases and application thereof 中国科学院昆明植物研究所 2020-04-28 CN claimed
CN-111067900-A Compounds for treating or preventing obesity or related diseases and application thereof 中国科学院昆明植物研究所 2020-04-28 CN disclosed