SCHEMBL8715439

SCHEMBL8715439

CCCC(Cc1ccc(OC)c(OC)c1)(C[C@H](N)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 6/20 0.41
KIF11 P52732 1/20 0.41
ADRB2 P07550 1/20 0.40
EDNRB P24530 3/20 0.40
EDNRA P25101 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LDHA P00338 1/20 0.40
STAT3 P40763 1/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL8714131 0.92 HTT (0.45) HTTSMN1; SMN2SIGMAR1KIF11ADRB2
SCHEMBL8713860 0.81 HTT (0.47) HTTSMN1; SMN2SIGMAR1KIF11ADRB2
SCHEMBL8713256 0.80 SMN1; SMN2 (0.45) HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL8713244 0.80 MEN1 (0.38) HTTSMN1; SMN2KIF11MEN1KMT2A
SCHEMBL8714039 0.76 LMNA (0.39) HTTSMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL8718953 0.73 STAT3 (0.41) HTTSMN1; SMN2SIGMAR1ADRB2MEN1
SCHEMBL8716946 0.73 ADRB2 (0.41) HTTSMN1; SMN2ADRB2LDHASTAT3
SCHEMBL8433303 0.72 MEN1 (0.39) HTTSMN1; SMN2KIF11MEN1KMT2A
SCHEMBL8433905 0.72 MEN1 (0.39) HTTSMN1; SMN2KIF11MEN1KMT2A
SCHEMBL8715550 0.72 SMN1; SMN2 (0.47) HTTSMN1; SMN2STAT3CYP19A1ALDH1A1

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