SCHEMBL8320924

SCHEMBL8320924

O=C(O)COc1ccc(C(O)CCl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TSHR P16473 1/20 0.57
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
FFAR1 O14842 1/20 0.49
PTPN7 P35236 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN12 Q05209 1/20 0.47
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
GRM4 Q14833 1/20 0.47
NR4A1 P22736 1/20 0.45
APEX1 P27695 1/20 0.45
MCL1 Q07820 1/20 0.45
MAPK1 P28482 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 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
SCHEMBL11575597 0.83 ALDH1A1 (0.57) ALDH1A1TSHRALOX15SMN1; SMN2FFAR1
SCHEMBL6831673 0.82 ALDH1A1 (0.64) ALDH1A1TSHRALOX15SMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL9778047 0.81 ALDH1A1 (0.55) ALDH1A1TSHRALOX15SMN1; SMN2FFAR1
SCHEMBL339492 0.79 ALOX15 (0.81) ALDH1A1TSHRALOX15SMN1; SMN2FFAR1
SCHEMBL11577699 0.79 ALDH1A1 (0.56) ALDH1A1TSHRALOX15SMN1; SMN2PTPN7
SCHEMBL8319210 0.79 ALDH1A1 (0.60) ALDH1A1TSHRALOX15SMN1; SMN2FFAR1
SCHEMBL8319206 0.79 ALDH1A1 (0.60) ALDH1A1TSHRALOX15SMN1; SMN2FFAR1
SCHEMBL15942681 0.77 ALOX15 (0.66) ALDH1A1TSHRALOX15SMN1; SMN2FFAR1
SCHEMBL801233 0.77 ALDH1A1 (0.72) ALDH1A1TSHRALOX15SMN1; SMN2FFAR1
SCHEMBL19555397 0.77 ALDH1A1 (0.62) ALDH1A1TSHRALOX15SMN1; SMN2FFAR1

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-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed