SCHEMBL9482614

SCHEMBL9482614

C=CC1=C(C(=O)OCC(=O)OC(C)(C)C)N2C(=O)C(NC(=O)C(=NOCC(=O)OC(c3ccccc3)c3ccccc3)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.63
▸ APEX1 P27695 3/20 0.63
▸ APAF1 O14727 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ TSHR P16473 1/20 0.63
▸ PLCG1 P19174 1/20 0.63
▸ ABCC2 Q92887 1/20 0.63
▸ SIRT5 Q9NXA8 1/20 0.63
▸ PSMD14 O00487 1/20 0.62
▸ MMP2 P08253 1/20 0.62
▸ MAPT P10636 5/20 0.55
▸ ABCC4 O15439 2/20 0.55
▸ CNR1 P21554 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ PTGS1 P23219 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ CYP3A4 P08684 1/20 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
SCHEMBL9482609 1.00 TDP1 (0.63) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9482891 0.95 TDP1 (0.66) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9742980 0.95 TDP1 (0.66) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9482894 0.95 TDP1 (0.66) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481364 0.92 PTGS1 (0.63) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481374 0.92 PTGS1 (0.63) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481965 0.92 TDP1 (0.71) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481972 0.92 TDP1 (0.71) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481309 0.89 TDP1 (0.69) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481314 0.89 TDP1 (0.69) TDP1APEX1APAF1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252731-A Antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 — — US disclosed
US-5110921-A Bactericides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-05 — — US disclosed
US-4960889-A CEPHALOSPORIN INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-02 — — US disclosed
US-4731443-A 7-acylamino-3-vinylcephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-15 — — US disclosed
US-4487927-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 — — US disclosed
US-4423213-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-27 — — US disclosed
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