SCHEMBL10819118

SCHEMBL10819118

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.77
▸ APAF1 O14727 2/20 0.77
▸ APEX1 P27695 2/20 0.77
▸ LMNA P02545 1/20 0.77
▸ TSHR P16473 1/20 0.77
▸ PLCG1 P19174 1/20 0.77
▸ ABCC2 Q92887 1/20 0.77
▸ SIRT5 Q9NXA8 1/20 0.77
▸ L3MBTL1 Q9Y468 1/20 0.77
▸ PSMD14 O00487 1/20 0.76
▸ MMP2 P08253 1/20 0.76
▸ MAPT P10636 4/20 0.69
▸ ABCC4 O15439 1/20 0.69
▸ CNR1 P21554 1/20 0.69
▸ CTDSP1 Q9GZU7 1/20 0.69
▸ NR1I2 O75469 5/20 0.58
▸ HTR2C P28335 1/20 0.58
▸ PPARG P37231 2/20 0.56
▸ ALB P02768 1/20 0.56
▸ SLC22A6 Q4U2R8 1/20 0.56

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
SCHEMBL9482326 0.96 TDP1 (0.75) TDP1APAF1APEX1LMNATSHR
SCHEMBL9743881 0.96 TDP1 (0.75) TDP1APAF1APEX1LMNATSHR
SCHEMBL5248715 0.94 TDP1 (0.82) TDP1APAF1APEX1LMNATSHR
SCHEMBL6416850 0.94 TDP1 (0.82) TDP1APAF1APEX1LMNATSHR
SCHEMBL8673690 0.94 TDP1 (0.82) TDP1APAF1APEX1LMNATSHR
SCHEMBL8673686 0.94 TDP1 (0.82) TDP1APAF1APEX1LMNATSHR
SCHEMBL8651470 0.88 TDP1 (0.73) TDP1APAF1APEX1LMNATSHR
SCHEMBL9482360 0.88 TDP1 (0.85) TDP1APAF1APEX1LMNATSHR
SCHEMBL9482371 0.88 TDP1 (0.85) TDP1APAF1APEX1LMNATSHR
SCHEMBL9481450 0.88 TDP1 (0.87) TDP1APAF1APEX1LMNATSHR

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
EP-0030630-B1 7-ACYLAMINO-3-VINYLCEPHALOSPORANIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM; THEIR STARTING COMPOUNDS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-01 — — EP disclosed
Send feedback