SCHEMBL9700567

SCHEMBL9700567

CCCCCCCCC1c2cccc(O)c21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40

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
SCHEMBL19103592 0.79 CES2 (0.39) CES2MEN1KMT2A
SCHEMBL19103590 0.79 CES2 (0.39) CES2MEN1KMT2A
SCHEMBL19103595 0.79 CES2 (0.39) CES2MEN1KMT2A
SCHEMBL19103594 0.79 CES2 (0.39) CES2MEN1KMT2A
SCHEMBL19103591 0.79 CES2 (0.39) CES2MEN1KMT2A
SCHEMBL19103593 0.79 CES2 (0.39) CES2MEN1KMT2A
SCHEMBL10490983 0.79 CES2 (0.63) CES2MEN1ALDH1A1MAPTHTT
SCHEMBL8840931 0.73 CES2 (0.41) CES2
SCHEMBL6060915 0.72 HTR2A (0.54)
SCHEMBL407781 0.72 HTR2A (0.54)

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
EP-0506087-A2 Cleaning compositions and methods for using same UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (a New York corporation) (US) 1992-09-30 EP disclosed