SCHEMBL7810054

SCHEMBL7810054

CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.81
▸ FAP Q12884 2/20 0.75
▸ MAPT P10636 5/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ USP2 O75604 1/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ HPGD P15428 1/20 0.70
▸ NR1I2 O75469 4/20 0.69
▸ ALB P02768 1/20 0.69
▸ PPARG P37231 1/20 0.69
▸ SLC22A6 Q4U2R8 1/20 0.69
▸ SLC22A8 Q8TCC7 1/20 0.69
▸ SLC22A11 Q9NSA0 1/20 0.69
▸ TDP1 Q9NUW8 5/20 0.68
▸ APEX1 P27695 3/20 0.68
▸ HSD17B10 Q99714 3/20 0.68
▸ POLB P06746 2/20 0.68
▸ RECQL P46063 2/20 0.68
▸ HTR2C P28335 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68

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
SCHEMBL7810048 1.00 PTGS1 (0.81) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL10741947 0.95 PTGS1 (0.81) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL10741940 0.95 PTGS1 (0.81) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL9683679 0.95 PTGS1 (0.81) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL10740262 0.94 PTGS1 (0.83) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL10740265 0.94 PTGS1 (0.83) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL7812935 0.93 FAP (0.77) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL7812937 0.93 FAP (0.77) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL7828028 0.93 PTGS1 (0.78) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL74256 0.90 PTGS1 (1.00) PTGS1FAPMAPTALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484966-B1 7-Acyl-3-(substituted carbamoyloxy) cephem compounds, use thereof and process for their preparation EISAI CO LTD (JP) 2001-04-11 — — EP disclosed
EP-1074554-A2 7-acyl-3-(substituted carbamoyloxy) cephem compounds, use thereof and process for their preparation Eisai Co., Ltd. (JP) 2001-02-07 — — EP disclosed
EP-1074553-A1 7-Acyl-3-(substituted carbamoyloxy) cephem compounds, use thereof and process for their preparation Eisai Co., Ltd. (JP) 2001-02-07 — — EP disclosed
EP-0761671-A1 Cephem derivatives Eisai Co., Ltd. (JP) 1997-03-12 — — EP disclosed
US-5604217-A CEPHALOSPORIN ANTIBIOTICS EISAI CO., LTD. (JP) 1997-02-18 — — US disclosed
US-5587473-A BLOCKING; CONDENSATION; DEBLOCKING EISAI CO., LTD. (JP) 1996-12-24 — — US disclosed
US-5563265-A BACTERICIDES EISAI CO., LTD. (JP) 1996-10-08 — — US disclosed
US-5559225-A ANTIBIOTICS EISAI CO., LTD. (JP) 1996-09-24 — — US disclosed
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