SCHEMBL8176517

SCHEMBL8176517

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(/C=C/CI)CS[C@@H]12)c1nsc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ FAP Q12884 1/20 0.47
▸ PTGS1 P23219 2/20 0.46
▸ NR1I2 O75469 4/20 0.44
▸ 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
▸ HTR2C P28335 1/20 0.44
▸ TDP1 Q9NUW8 6/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ APEX1 P27695 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ ABCC4 O15439 2/20 0.44

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
SCHEMBL8176515 1.00 MAPT (0.47) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL8180829 0.94 MAPT (0.47) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL20886830 0.90 MAPT (0.48) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL20869566 0.90 MAPT (0.48) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9781582 0.89 MAPT (0.50) MAPTALDH1A1PTGS1NR1I2ALB
SCHEMBL9781586 0.89 MAPT (0.50) MAPTALDH1A1PTGS1NR1I2ALB
SCHEMBL9367558 0.87 MAPT (0.41) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9587077 0.87 NR1I2 (0.51) MAPTALDH1A1PTGS1NR1I2ALB
SCHEMBL9587073 0.87 NR1I2 (0.51) MAPTALDH1A1PTGS1NR1I2ALB
SCHEMBL10671768 0.86 NR1I2 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063778-A HETEROCYCLIC CEPHALOSPORINS IL-DONG PHARM. CO., LTD. (KR) 2000-05-16 — — US disclosed
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