SCHEMBL8714130

SCHEMBL8714130

CCC(Cc1ccc(OC)c(OC)c1)C(N)C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.48
ADRB2 P07550 1/20 0.47
ACHE P22303 1/20 0.45
SIGMAR1 Q99720 7/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL8714129 1.00 LDHA (0.48) LDHAADRB2ACHESIGMAR1ALDH1A1
SCHEMBL8715434 0.90 SIGMAR1 (0.51) LDHAADRB2SIGMAR1ALDH1A1LMNA
SCHEMBL8715437 0.90 SIGMAR1 (0.51) LDHAADRB2SIGMAR1ALDH1A1LMNA
SCHEMBL8713241 0.87 PPARG (0.43) LDHAADRB2ACHEALOX15ALOX12
SCHEMBL8713237 0.87 PPARG (0.43) LDHAADRB2ACHEALOX15ALOX12
SCHEMBL8713857 0.85 ALOX15 (0.53) LDHAADRB2SIGMAR1ALDH1A1LMNA
SCHEMBL8713854 0.85 ALOX15 (0.53) LDHAADRB2SIGMAR1ALDH1A1LMNA
SCHEMBL8713254 0.84 SMN1; SMN2 (0.47) LDHAACHEALDH1A1LMNAKDM4E
SCHEMBL8713251 0.84 SMN1; SMN2 (0.47) LDHAACHEALDH1A1LMNAKDM4E
SCHEMBL8714034 0.83 ACHE (0.44) LDHAACHELMNAKMT2AMEN1

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