SCHEMBL6101730

SCHEMBL6101730

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCCC1)C(C)(C)C)S(=O)(=O)c1ccc2ncsc2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.44
CYP3A4 P08684 2/20 0.42
MLNR O43193 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
CTSD P07339 1/20 0.40
CYP3A5 P20815 1/20 0.40
CNR1 P21554 1/20 0.40
TBXAS1 P24557 1/20 0.40
ADRA1A P35348 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
Hydrochloric Acid SCHEMBL6101755 0.99 SPPL2A (0.44) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL4975290 0.89 SPPL2A (0.49) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL6101693 0.87 MLNR (0.47) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL5026529 0.85 SPPL2A (0.60) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL14189508 0.85 SPPL2A (0.51) SPPL2ACYP3A4MLNRABCB11LMNA
Bromide SCHEMBL4972235 0.84 SPPL2A (0.50) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL7518698 0.84 SPPL2A (0.46) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL5914806 0.84 SPPL2A (0.46) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL12434835 0.84 SPPL2A (0.53) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL8238981 0.84 SPPL2A (0.53) SPPL2ACYP3A4MLNRABCB11LMNA

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-7098202-B2 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-08-29 US disclosed