SCHEMBL11538481

SCHEMBL11538481

O=C(O)COc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
ALDH1A1 P00352 2/20 0.55
MAP4K4 O95819 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
FFAR1 O14842 1/20 0.53
MCL1 Q07820 2/20 0.53
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
PTPN7 P35236 1/20 0.51
KMT2A Q03164 1/20 0.51
PTPN12 Q05209 1/20 0.51
POLB P06746 1/20 0.50
PTGIR P43119 1/20 0.50

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 SCHEMBL9362395 0.98 ALOX15 (0.57) ALOX15ALDH1A1MAP4K4SMN1; SMN2FFAR1
SCHEMBL30969690 0.94 ALOX15 (0.65) ALOX15ALDH1A1MAP4K4SMN1; SMN2FFAR1
SCHEMBL40485 0.94 ALOX15 (0.65) ALOX15ALDH1A1MAP4K4SMN1; SMN2FFAR1
SCHEMBL27364334 0.92 ALOX15 (0.63) ALOX15ALDH1A1MAP4K4SMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL11104858 0.92 ALOX15 (0.63) ALOX15ALDH1A1MAP4K4SMN1; SMN2FFAR1
Ammonia Solution, Strong SCHEMBL28895431 0.92 ALOX15 (0.63) ALOX15ALDH1A1MAP4K4SMN1; SMN2FFAR1
SCHEMBL27313420 0.92 ALOX15 (0.63) ALOX15ALDH1A1MAP4K4SMN1; SMN2FFAR1
SCHEMBL31134770 0.92 ALDH1A1 (0.63) ALOX15ALDH1A1MAP4K4SMN1; SMN2FFAR1
SCHEMBL29240036 0.92 ALOX15 (0.63) ALOX15ALDH1A1MAP4K4SMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL5903375 0.92 ALOX15 (0.63) ALOX15ALDH1A1MAP4K4SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4156011-A TREATMENT OF CARDIOVASCULAR DISORDERS SOCIETE ANONYME DITE: LABORATOIRE L. LAFON (FR) 1979-05-22 US disclosed
US-4090862-A Novel phenoxycarboxylic acid aryloxy(thio)carbonylaminomethyl esters and their use for regulating plant growth BAYER AKTIENGESELLSCHAFT (DT) 1978-05-23 US disclosed