SCHEMBL8713922

SCHEMBL8713922

COc1ccc(CC(C)(C[C@H](N)O)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.40
STAT3 P40763 1/20 0.40
PKM P14618 1/20 0.40
CNR1 P21554 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 1/20 0.40
PMP22 Q01453 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL8717242 0.89 ESR1 (0.46) LMNANPSR1ALDH1A1STAT3CYP3A4
SCHEMBL8714103 0.89 EPHX2 (0.41) LMNAALDH1A1STAT3CYP19A1CA2
SCHEMBL8718432 0.88 LMNA (0.40) LMNAKMT2AMEN1HTTRECQL
SCHEMBL8712989 0.88 MMP1 (0.43) LMNAKMT2ASTAT3CYP19A1CA2
SCHEMBL8713860 0.88 HTT (0.47) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL8433303 0.87 MEN1 (0.39) LMNAKMT2AMEN1HTTRECQL
SCHEMBL8433905 0.87 MEN1 (0.39) LMNAKMT2AMEN1HTTRECQL
SCHEMBL8719246 0.81 ATM (0.40) KMT2AHTTALDH1A1STAT3CYP19A1
SCHEMBL8716946 0.81 ADRB2 (0.41) LMNAHTTSTAT3CYP19A1CA2
SCHEMBL8715550 0.80 SMN1; SMN2 (0.47) LMNAHTTNPSR1ALDH1A1STAT3

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