SCHEMBL8716720

SCHEMBL8716720

COc1ccc(CC(C)(C[C@H](N)O)c2cccc(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.49
ADRB2 P07550 3/20 0.41
ADRB3 P13945 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RORC P51449 1/20 0.39
SLC6A4 P31645 1/20 0.38
KIF11 P52732 1/20 0.38
BCL2A1 Q16548 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL8713335 0.89 TAAR1 (0.44) CASRKMT2AMAPTKIF11LMNA
SCHEMBL8713872 0.86 ESR1 (0.42) CASRKIF11
SCHEMBL8717072 0.86 KIF11 (0.40) CASRKMT2ASLC6A4KIF11HTT
SCHEMBL8716173 0.86 KIF11 (0.40) CASRSLC6A4KIF11
SCHEMBL8433303 0.86 MEN1 (0.39) CASRKMT2AMAPTKIF11LMNA
SCHEMBL8433905 0.86 MEN1 (0.39) CASRKMT2AMAPTKIF11LMNA
SCHEMBL8716326 0.85 PKM (0.49) KIF11
SCHEMBL8713422 0.85 CASR (0.39) CASRADRB2ADRB3KIF11
SCHEMBL8714910 0.84 KIF11 (0.43) KIF11
SCHEMBL8716258 0.83 SLC6A4 (0.44) CASRNPC1RAB9AKMT2ASLC6A4

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