SCHEMBL8201122

SCHEMBL8201122

OCCC(Oc1ccccc1)C(O)COc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
RECQL P46063 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CYP2D6 P10635 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MEN1 O00255 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN4A P35499 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 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
SCHEMBL6395059 0.86 LMNA (0.52) LMNARECQLALDH1A1MAPTHTT
SCHEMBL167129 0.86 LMNA (0.52) LMNARECQLALDH1A1MAPTHTT
SCHEMBL9564637 0.82 LMNA (0.68) LMNARECQLALDH1A1MAPTHTT
SCHEMBL551186 0.78 LMNA (0.59) LMNARECQLALDH1A1MAPTHTT
SCHEMBL28824115 0.77 LMNA (0.44) LMNARECQLALDH1A1MAPTPPARG
SCHEMBL8443744 0.77 LMNA (0.57) LMNARECQLALDH1A1MAPTHTT
SCHEMBL11612204 0.77 LMNA (0.57) LMNARECQLALDH1A1MAPTHTT
SCHEMBL26654140 0.77 LMNA (0.49) LMNARECQLALDH1A1MAPTHTT
SCHEMBL9581012 0.74 TRPA1 (0.37) LMNARECQLALDH1A1MAPTPPARG
SCHEMBL5729586 0.74 ALDH1A1 (0.46) LMNARECQLALDH1A1SMN1; SMN2PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6126930-A REDUCING TRIGEMINAL STIMULATION FROM AN ATOMIZED ALCOHOL THE PROCTER & GAMBLE COMPANY (US) 2000-10-03 US disclosed
US-5972361-A USEFUL FOR BOTH CLEANSING AND CONDITIONING THE SKIN OR HAIR; COMPRISINGWATER INSOLUBLE SUBSTRATE, LATHERING SURFACTANT, AND OIL SOLUBLE CONDITIONING AGENT THE PROCTER & GAMBLE COMPANY (US) 1999-10-26 US disclosed