SCHEMBL10490195

SCHEMBL10490195

C/C=C\C1=C(C(=O)OC(C)OC(C)=O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)=O)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ TDP1 Q9NUW8 7/20 0.55
▸ APEX1 P27695 3/20 0.55
▸ APAF1 O14727 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PLCG1 P19174 1/20 0.55
▸ ABCC2 Q92887 1/20 0.55
▸ SIRT5 Q9NXA8 1/20 0.55
▸ MAPT P10636 5/20 0.54
▸ NR1I2 O75469 5/20 0.54
▸ PPARG P37231 2/20 0.54
▸ PSMD14 O00487 1/20 0.54
▸ MMP2 P08253 1/20 0.54
▸ ALB P02768 1/20 0.54
▸ SLC22A6 Q4U2R8 1/20 0.54
▸ SLC22A8 Q8TCC7 1/20 0.54

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
SCHEMBL10490128 1.00 PTGS1 (0.59) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10490127 1.00 PTGS1 (0.59) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10490197 1.00 PTGS1 (0.59) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10792889 1.00 PTGS1 (0.59) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10792895 1.00 PTGS1 (0.59) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10797281 0.94 PTGS1 (0.67) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10796262 0.94 PTGS1 (0.67) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10797276 0.94 PTGS1 (0.67) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10796614 0.94 PTGS1 (0.67) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10796609 0.94 PTGS1 (0.67) PTGS1ABCB11PDE4DTDP1APEX1

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-4708955-A ANTIBACTERIALS BRISTOL-MYERS COMPANY (US) 1987-11-24 — — US claimed
US-4874856-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1989-10-17 — — US disclosed
EP-0304036-A2 3-(substituted)propenyl-7-(aminothiazolylacetamido)ceph-3-em-4-carboxylic acids and esters thereof Bristol-Myers Squibb Company (US) 1989-02-22 — — EP disclosed
US-4708955-A ANTIBACTERIALS BRISTOL-MYERS COMPANY (US) 1987-11-24 — — US disclosed
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