SCHEMBL10796450

SCHEMBL10796450

CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=Cc3ccccn3)CS[C@@H]12)c1csc(NC=O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ FAP Q12884 1/20 0.48
▸ NR1I2 O75469 5/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ PTGS1 P23219 2/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ PGR P06401 2/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ ALB P02768 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ SLC22A11 Q9NSA0 1/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 6/20 0.42

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
SCHEMBL10796446 1.00 MAPT (0.48) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10532816 0.93 MAPT (0.46) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10532813 0.93 MAPT (0.46) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10530847 0.92 NR1I2 (0.50) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL7072611 0.92 NR1I2 (0.50) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9482880 0.90 TDP1 (0.52) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9482885 0.90 TDP1 (0.52) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9483140 0.90 NR1I2 (0.47) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10530868 0.89 NR1I2 (0.47) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10531311 0.89 NR1I2 (0.47) MAPTALDH1A1USP2CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4639448-A 7-amino-3-[substituted vinyl]-3-cephem-4-carboxylates having antimicrobial activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-01-27 — — US disclosed
US-4546101-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-08 — — US disclosed
EP-0103264-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-21 — — EP disclosed
Send feedback