SCHEMBL7423792

SCHEMBL7423792

CCC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)CS)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SPPL2A Q8TCT8 1/20 0.46
▸ MLNR O43193 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CTSD P07339 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP3A5 P20815 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ TBXAS1 P24557 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ABCB1 P08183 1/20 0.41

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
SCHEMBL5863507 0.93 SPPL2A (0.53) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL6098233 0.84 SPPL2A (0.53) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL5403915 0.84 SPPL2A (0.53) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL14216612 0.83 SPPL2A (0.55) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL5928233 0.83 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL5863073 0.83 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL14189477 0.83 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL14113285 0.82 SPPL2A (0.49) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL14189478 0.82 SPPL2A (0.54) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL5863399 0.82 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861249-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-02 — — EP disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 — — WO disclosed
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