SCHEMBL9434513

SCHEMBL9434513

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(=O)OC(C)C)=C(/C=C/c3ccncc3)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.72
▸ ABCB11 O95342 1/20 0.72
▸ PDE4D Q08499 1/20 0.72
▸ MAPT P10636 4/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ FAP Q12884 1/20 0.56
▸ NR1I2 O75469 4/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ PGR P06401 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ ALB P02768 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ SLC22A6 Q4U2R8 1/20 0.53
▸ SLC22A8 Q8TCC7 1/20 0.53
▸ SLC22A11 Q9NSA0 1/20 0.53
▸ TDP1 Q9NUW8 6/20 0.52
▸ APEX1 P27695 3/20 0.52

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
SCHEMBL9434949 0.88 NR1I2 (0.68) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9434931 0.88 NR1I2 (0.68) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9435088 0.86 PTGS1 (0.60) PTGS1ABCB11PDE4DMAPTALDH1A1
SCHEMBL9289161 0.86 PTGS1 (0.60) PTGS1ABCB11PDE4DMAPTALDH1A1
SCHEMBL9179799 0.86 PTGS1 (0.60) PTGS1ABCB11PDE4DMAPTALDH1A1
SCHEMBL9434981 0.86 PTGS1 (0.60) PTGS1ABCB11PDE4DMAPTALDH1A1
SCHEMBL9100986 0.86 PTGS1 (0.62) PTGS1ABCB11PDE4DMAPTALDH1A1
SCHEMBL9100980 0.86 PTGS1 (0.62) PTGS1ABCB11PDE4DMAPTALDH1A1
SCHEMBL9434436 0.84 PTGS1 (0.58) PTGS1ABCB11PDE4DMAPTALDH1A1
SCHEMBL10796262 0.84 PTGS1 (0.67) PTGS1ABCB11PDE4DMAPTALDH1A1

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
WO-1994010177-A1 CEPHEM COMPOUNDS, AND THEIR PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 — — WO disclosed
Send feedback