SCHEMBL8889558

SCHEMBL8889558

CC(C=O)Oc1ccc(C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.48
ALDH1A3 P47895 1/20 0.44
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
IDO1 P14902 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL18321308 0.83 CYP1A2 (0.46) ALDH1A3SMN1; SMN2KDM4E
SCHEMBL97276 0.83 CYP1A2 (0.46) ALDH1A3SMN1; SMN2KDM4E
SCHEMBL5803767 0.81 ALDH1A1 (0.50) ALDH1A3MAPK1CA12CA1CA2
SCHEMBL9844692 0.81 ALDH1A3 (0.45) ALDH1A3KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL14233591 0.81 ALDH1A3 (0.45) ALDH1A3KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL9421466 0.79 ALDH1A3 (0.44) ALDH1A3KMT2AMEN1CA12CA1
SCHEMBL94527 0.78 ALDH1A3 (0.42) ALDH1A3KMT2AMEN1KDM4EHPGD
SCHEMBL3276265 0.78 ALDH1A3 (0.42) ALDH1A3KMT2AMEN1KDM4EHPGD
SCHEMBL9365277 0.78 ALDH1A3 (0.42) ALDH1A3KMT2AMEN1KDM4EHPGD
SCHEMBL10794800 0.76 ACACB (0.42) ALDH1A3KMT2AMAPT

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
US-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed