SCHEMBL11029565

SCHEMBL11029565

CC(C)(C)C(=O)CC(c1ccccc1)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ EPHX2 P34913 1/20 0.44
▸ LMNA P02545 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HMOX2 P30519 1/20 0.43
▸ GPBAR1 Q8TDU6 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KCNA5 P22460 2/20 0.41
▸ HSD11B1 P28845 1/20 0.40

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
SCHEMBL14519738 0.89 LMNA (0.49) LMNAPOLBHPGDHSD11B1
SCHEMBL11031281 0.86 TBXAS1 (0.52) SLC6A2SLC6A4SLC6A3EPHX2LMNA
SCHEMBL17968651 0.81 ALDH1A1 (0.38) LMNAHTTSMN1; SMN2GAA
SCHEMBL170301 0.80 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3EPHX2LMNA
SCHEMBL11029028 0.80 ALDH1A1 (0.52) SLC6A2SLC6A4SLC6A3LMNAKCNA5
Hydrochloric Acid SCHEMBL128794 0.79 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3EPHX2LMNA
SCHEMBL2203786 0.77 CYP2C19 (0.56) SLC6A2SLC6A4SLC6A3EPHX2LMNA
SCHEMBL8672694 0.77 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3EPHX2LMNA
SCHEMBL10919976 0.77 CYP19A1 (0.50) LMNAHTTSMN1; SMN2HPGD
SCHEMBL20747091 0.75 RIPK1 (0.52) LMNASMN1; SMN2HPGDHSD11B1

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-4477453-A ANTISPASMODIC, ANTIHISTAMINE UNIVABLOT (FR) 1984-10-16 — — US disclosed
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