SCHEMBL9743995

SCHEMBL9743995

C=CC1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)C(NC(=O)/C(=N\OCC(=O)OCc3ccc([N+](=O)[O-])cc3)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.61
▸ TDP1 Q9NUW8 9/20 0.59
▸ APEX1 P27695 4/20 0.59
▸ APAF1 O14727 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ PLCG1 P19174 1/20 0.59
▸ ABCC2 Q92887 1/20 0.59
▸ SIRT5 Q9NXA8 1/20 0.59
▸ MAPT P10636 6/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ FAP Q12884 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ PSMD14 O00487 1/20 0.59
▸ MMP2 P08253 1/20 0.59
▸ ABCC4 O15439 2/20 0.52
▸ CNR1 P21554 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
SCHEMBL9743996 1.00 PTGS1 (0.61) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL9482824 0.91 PTGS1 (0.72) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL9482817 0.91 PTGS1 (0.72) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL9482324 0.90 TDP1 (0.73) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL9482340 0.90 TDP1 (0.73) PTGS1TDP1APEX1APAF1LMNA
Hydrochloric Acid SCHEMBL9481307 0.90 TDP1 (0.73) PTGS1TDP1APEX1APAF1LMNA
Hydrochloric Acid SCHEMBL9481300 0.90 TDP1 (0.73) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL9481582 0.90 TDP1 (0.65) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481565 0.90 TDP1 (0.65) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10817602 0.87 TDP1 (0.78) PTGS1TDP1APEX1APAF1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback