SCHEMBL8713254

SCHEMBL8713254

CCC(Cc1ccc(OC)c(OC)c1)C(N)C(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PPARA Q07869 4/20 0.42
CMA1 P23946 1/20 0.42
PPARD Q03181 3/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PNMT P11086 1/20 0.41
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NQO2 P16083 1/20 0.39
ACHE P22303 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MMP1 P03956 1/20 0.39
LDHA P00338 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
SCHEMBL8713251 1.00 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLMNAKDM4ETDP1
SCHEMBL8715549 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MAPTLMNAKDM4ETDP1
SCHEMBL8715547 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MAPTLMNAKDM4ETDP1
SCHEMBL8714130 0.84 LDHA (0.48) LMNAKDM4EPPARAPPARDALDH1A1
SCHEMBL8714129 0.84 LDHA (0.48) LMNAKDM4EPPARAPPARDALDH1A1
SCHEMBL8713241 0.84 PPARG (0.43) PPARAPPARDHTR2AHTR2CHTR2B
SCHEMBL8713237 0.84 PPARG (0.43) PPARAPPARDHTR2AHTR2CHTR2B
SCHEMBL8714034 0.78 ACHE (0.44) MAPTLMNAPPARAPPARDPNMT
SCHEMBL8714037 0.78 ACHE (0.44) MAPTLMNAPPARAPPARDPNMT
SCHEMBL7153058 0.76 ADRB2 (0.48) SMN1; SMN2MAPTLMNAKDM4ETDP1

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