SCHEMBL8720152

SCHEMBL8720152

COc1ccccc1CC(C)(C[C@H](N)O)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX4 Q99571 1/20 0.37
KIF11 P52732 2/20 0.36
GAA P10253 2/20 0.36
IDO1 P14902 2/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NR3C1 P04150 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SLC6A2 P23975 2/20 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
SCHEMBL8717145 0.87 SMN1; SMN2 (0.40) MEN1KMT2ALMNAKIF11GAA
SCHEMBL8717467 0.87 MEN1 (0.48) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL8720042 0.86 IDO1 (0.41) MEN1KMT2ALMNAGAAIDO1
SCHEMBL8714402 0.86 KCNH2 (0.38) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL8719228 0.86 MAPT (0.44) LMNAGAAKDM4ENR3C1
SCHEMBL8714450 0.86 SLC1A5 (0.46) KIF11
SCHEMBL8719069 0.85 KIF11 (0.39) KIF11SLC6A2SLC6A4SLC6A3
SCHEMBL8716625 0.84 KIF11 (0.38) P2RX4KIF11SLC6A2SLC6A4
SCHEMBL8433303 0.83 MEN1 (0.39) MEN1KMT2ALMNANPSR1KIF11
SCHEMBL8433905 0.83 MEN1 (0.39) MEN1KMT2ALMNANPSR1KIF11

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
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed