SCHEMBL19263443

SCHEMBL19263443

C=CC/C=C\C/C=C\CC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
EP300 Q09472 1/20 0.30
KAT2B Q92831 1/20 0.30
KAT5 Q92993 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30
FFAR1 O14842 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30
OXER1 Q8TDS5 1/20 0.30

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
SCHEMBL17399521 1.00 ALDH1A1 (0.33) ALDH1A1CYP2D6ALOX15EP300KAT2B
SCHEMBL12572575 0.79 ALDH1A1 (0.47) ALDH1A1CYP2D6ALOX15
SCHEMBL18868445 0.79 ALDH1A1 (0.47) ALDH1A1CYP2D6ALOX15
SCHEMBL17703871 0.78 ALDH1A1 (0.38) ALDH1A1CYP2D6ALOX15FFAR1MAPT
SCHEMBL13819787 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15FFAR1MAPTCYP19A1
SCHEMBL15223579 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15FFAR1MAPTCYP19A1
SCHEMBL17676487 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15FFAR1MAPTCYP19A1
SCHEMBL17399089 0.76 ALDH1A1 (0.33) ALDH1A1PPARG
SCHEMBL17460947 0.76 LMNA (0.41) ALDH1A1MAPTOXER1
SCHEMBL19261401 0.76 ALDH1A1 (0.33) ALDH1A1PPARG

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-9738631-B2 Compositions and methods for the treatment of neurological disorders CELLIX BIO PRIVATE LIMITED (IN) 2017-08-22 US disclosed