SCHEMBL4741469

SCHEMBL4741469

O=C(O)COCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.49
PNMT P11086 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TSHR P16473 2/20 0.45
PDPK1 O15530 1/20 0.44
PYGL P06737 1/20 0.44
IGF1R P08069 1/20 0.44
ALOX15 P16050 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
TBXA2R P21731 1/20 0.42
FFAR4 Q5NUL3 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.41

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
SCHEMBL3589323 0.85 FFAR1 (0.51) FFAR1PNMTTAAR1TSHRPDPK1
SCHEMBL10540830 0.83 IDO1 (0.52) FFAR1TSHRFFAR4MEN1KMT2A
SCHEMBL8103430 0.81 FFAR4 (0.56) FFAR1FFAR4TDP1
SCHEMBL14100864 0.79 TSHR (0.42) FFAR1PNMTTAAR1TSHRPDPK1
SCHEMBL3893736 0.79 ALDH1A1 (0.51) FFAR1TAAR1PLAAT3PLAAT5PLAAT2
SCHEMBL4742633 0.77 PNMT (0.50) PNMTTAAR1TSHRPYGLIGF1R
SCHEMBL1206803 0.77 FFAR1 (0.69) FFAR1PNMTTAAR1PDPK1PYGL
SCHEMBL8132571 0.75 FFAR4 (0.52) FFAR1FFAR4TDP1
SCHEMBL4588706 0.75 CYP1A2 (0.59) FFAR1PDPK1FFAR4
SCHEMBL3815987 0.75 TSHR (0.50) TSHRALOX15MEN1KMT2ATDP1

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
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed