SCHEMBL11070069

SCHEMBL11070069

CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=CCCl)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ FAP Q12884 1/20 0.43
▸ NR1I2 O75469 4/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PGR P06401 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ TDP1 Q9NUW8 6/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ PTGS1 P23219 2/20 0.40
▸ APAF1 O14727 2/20 0.39
▸ APEX1 P27695 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PLCG1 P19174 1/20 0.39
▸ ABCC2 Q92887 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL9667884 1.00 MAPT (0.43) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9667887 1.00 MAPT (0.43) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9665791 0.95 MAPT (0.43) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9665795 0.95 MAPT (0.43) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL11075809 0.95 MAPT (0.43) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9666284 0.92 TDP1 (0.47) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9666277 0.92 TDP1 (0.47) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10848033 0.92 MAPT (0.42) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10848031 0.92 MAPT (0.42) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9667991 0.92 TDP1 (0.42) 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-4486586-A BACTERICIDAL ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1984-12-04 — — US disclosed
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