SCHEMBL9246404

SCHEMBL9246404

O=C(O)C(O)CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.53
PNMT P11086 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
PDPK1 O15530 1/20 0.46
PYGL P06737 1/20 0.45
IGF1R P08069 1/20 0.45
ALOX15 P16050 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
FFAR1 O14842 2/20 0.43
PTPRG P23470 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2164417 0.82 KDM6B (0.61) KMOPNMTPTPRGTSHR
SCHEMBL2164411 0.82 KDM6B (0.61) KMOPNMTPTPRGTSHR
SCHEMBL11829343 0.82 CSNK2A1 (0.53) FFAR1KMT2A
SCHEMBL14844373 0.81 GRIK1 (0.56) KMOPNMTTAAR1PDPK1PYGL
SCHEMBL14844372 0.81 GRIK1 (0.56) KMOPNMTTAAR1PDPK1PYGL
SCHEMBL27820206 0.80 PPARG (0.51) TAAR1FFAR1
SCHEMBL8595114 0.79 KMT2A (0.54) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9242977 0.78 PDPK1 (0.48) PNMTTAAR1PDPK1SIGMAR1TMEM97
SCHEMBL9242982 0.77 TSHR (0.42) PNMTTAAR1PYGLIGF1RALOX15
SCHEMBL11828650 0.77 PTGDR2 (0.43) TAAR1SIGMAR1TMEM97PTGER2PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466880-A Process for preparing ketone enantiomer PFIZER INC. (US) 1995-11-14 US claimed
EP-0624152-A1 PROCESS FOR PREPARING KETONE ENANTIOMER. PFIZER (US) 1994-11-17 EP claimed
WO-1993012062-A1 PROCESS FOR PREPARING KETONE ENANTIOMER PFIZER INC. (US) 1993-06-24 WO claimed
US-5466880-A Process for preparing ketone enantiomer PFIZER INC. (US) 1995-11-14 US disclosed
US-5466880-A Process for preparing ketone enantiomer PFIZER INC. (US) 1995-11-14 US disclosed
EP-0624152-A1 PROCESS FOR PREPARING KETONE ENANTIOMER. PFIZER (US) 1994-11-17 EP disclosed
WO-1993012062-A1 PROCESS FOR PREPARING KETONE ENANTIOMER PFIZER INC. (US) 1993-06-24 WO disclosed