SCHEMBL8713256

SCHEMBL8713256

CCC(Cc1ccc(OC)c(OC)c1)(C[C@H](N)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NQO2 P16083 1/20 0.40
CTSD P07339 1/20 0.39
RAB9A P51151 1/20 0.38
AKR1C3 P42330 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PPARA Q07869 2/20 0.38
HTT P42858 2/20 0.38
PPARD Q03181 1/20 0.37
EPHX1 P07099 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
SCHEMBL8714131 0.88 HTT (0.45) SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL8713244 0.87 MEN1 (0.38) SMN1; SMN2LMNAMAPTNPSR1ALDH1A1
SCHEMBL8715550 0.84 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKDM4EMAPTTDP1
SCHEMBL8714039 0.81 LMNA (0.39) SMN1; SMN2LMNAKDM4EMAPTNPSR1
SCHEMBL8715439 0.80 HTT (0.44) SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL8712989 0.76 MMP1 (0.43) SMN1; SMN2LMNAKDM4ECTSDPPARA
SCHEMBL8713860 0.73 HTT (0.47) SMN1; SMN2LMNAKDM4EALDH1A1HTT
SCHEMBL8716946 0.72 ADRB2 (0.41) SMN1; SMN2LMNAKDM4EHTR2BHTT
SCHEMBL8433303 0.71 MEN1 (0.39) SMN1; SMN2LMNAMAPTNPSR1ALDH1A1
SCHEMBL8433905 0.71 MEN1 (0.39) SMN1; SMN2LMNAMAPTNPSR1ALDH1A1

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