SCHEMBL5873443

SCHEMBL5873443

O=C(c1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.53
CES2 O00748 2/20 0.53
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
ALOX12 P18054 1/20 0.51
RECQL P46063 1/20 0.51
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
AURKA O14965 1/20 0.48
PDPK1 O15530 1/20 0.48
DAPK3 O43293 1/20 0.48
DYRK3 O43781 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48

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
SCHEMBL242506 0.86 CES1 (0.54) CES1CES2MAPTMEN1KMT2A
SCHEMBL30938660 0.84 TSHR (0.52) CES1CES2ALDH1A1ALOX15TSHR
SCHEMBL5510929 0.82 NPC1 (0.45) CES1MAPTMEN1KMT2A
SCHEMBL28453450 0.81 MAPT (0.53) CES1MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL28070688 0.81 CES1 (0.53) CES1CES2MAPTMEN1KMT2A
SCHEMBL14166678 0.80 CYP2C9 (0.64) CES1CES2MAPTMEN1KMT2A
Methoxymethane SCHEMBL11536323 0.78 CES1 (0.61) CES1CES2MEN1KMT2AALDH1A1
SCHEMBL8519062 0.77 CES2 (0.50) CES1CES2MAPTMEN1KMT2A
SCHEMBL5312515 0.77 CES1 (0.48) CES1CES2MAPTMEN1KMT2A
SCHEMBL8799598 0.77 KCNN4 (0.46) CES1CES2MAPTMEN1KMT2A

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-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed