SCHEMBL11076031

SCHEMBL11076031

C=C(COc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.55
KDM4E B2RXH2 4/20 0.55
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
GAA P10253 2/20 0.51
TP53 P04637 2/20 0.51
FKBP1A P62942 1/20 0.51
ALOX12 P18054 1/20 0.51
ENPP2 Q13822 2/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
MAOB P27338 1/20 0.49
AOC3 Q16853 1/20 0.49
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
FFAR1 O14842 1/20 0.48
TSHR P16473 1/20 0.48
NOTUM Q6P988 1/20 0.48
NR4A2 P43354 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
Hydrochloric Acid SCHEMBL11096722 0.98 WDR5 (0.54) WDR5KDM4ERXRARXRBRXRG
SCHEMBL11096716 0.87 WDR5 (0.55) WDR5KDM4ERXRARXRBRXRG
SCHEMBL523934 0.83 LMNA (0.64) WDR5KDM4ERXRARXRBRXRG
SCHEMBL29447016 0.83 LMNA (0.64) WDR5KDM4ERXRARXRBRXRG
SCHEMBL632411 0.81 ALOX15 (0.63) GAAALDH1A1FFAR1
SCHEMBL29590819 0.80 WDR5 (0.62) WDR5KDM4ERXRARXRBRXRG
SCHEMBL1308577 0.80 WDR5 (0.62) WDR5KDM4ERXRARXRBRXRG
SCHEMBL12468989 0.79 MAPT (0.56) KDM4EALDH1A1MAOBPPARGPPARD
Hydrochloric Acid SCHEMBL11077850 0.79 ALOX15 (0.61) GAAALDH1A1FFAR1
SCHEMBL12469120 0.79 KDM4E (0.54) KDM4EALDH1A1POLBPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0118685-A1 Propene derivatives and their use as plant growth inhibitors DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-09-19 EP disclosed
EP-0117412-A1 Propene derivatives and their use as plant growth inhibitors DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-09-05 EP disclosed