SCHEMBL8534455

SCHEMBL8534455

CN(C)C=CC1=CC(=O)CC(C)(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 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
SCHEMBL15367881 0.81 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL13902572 0.79 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL124554 0.76 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL21877489 0.75 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL13852334 0.71 MEN1 (0.54) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL10474503 0.69 KMT2A (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2796323 0.68 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL21678294 0.68 KMT2A (0.50) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL30903586 0.67 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL14266694 0.65 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPC1LMNA

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-0873746-A2 Dyestuff for keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 EP disclosed