SCHEMBL8433905

SCHEMBL8433905

COc1ccc(CC(C)(C[C@H](N)O)c2cccc(Cl)c2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR3C1 P04150 1/20 0.39
REN P00797 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STAT3 P40763 1/20 0.38
CYP19A1 P11511 1/20 0.37
KIF11 P52732 1/20 0.37
CTSD P07339 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CASR P41180 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL8433303 1.00 MEN1 (0.39) MEN1KMT2AHTTLMNARECQL
SCHEMBL8716946 0.87 ADRB2 (0.41) HTTLMNANR3C1SMN1; SMN2STAT3
SCHEMBL8713922 0.87 LMNA (0.49) MEN1KMT2AHTTLMNARECQL
SCHEMBL8713860 0.87 HTT (0.47) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL8715550 0.86 SMN1; SMN2 (0.47) HTTLMNANPSR1MAPTSMN1; SMN2
SCHEMBL8716720 0.86 CASR (0.49) KMT2AHTTLMNAMAPTSMN1; SMN2
SCHEMBL8713335 0.85 TAAR1 (0.44) MEN1KMT2AHTTLMNANPSR1
SCHEMBL8718432 0.85 LMNA (0.40) MEN1KMT2AHTTLMNARECQL
SCHEMBL8713244 0.84 MEN1 (0.38) MEN1KMT2AHTTLMNARECQL
SCHEMBL8720152 0.83 MEN1 (0.39) MEN1KMT2ALMNANPSR1NR3C1

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
US-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 US disclosed