SCHEMBL9781636

SCHEMBL9781636

COC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1nsc(N)n1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.61
▸ NR1I2 O75469 7/20 0.61
▸ SLC22A6 Q4U2R8 2/20 0.61
▸ SLC22A8 Q8TCC7 2/20 0.61
▸ SLC22A11 Q9NSA0 2/20 0.61
▸ PPARG P37231 2/20 0.61
▸ ALB P02768 1/20 0.61
▸ TDP1 Q9NUW8 7/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ APEX1 P27695 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ ABCC4 O15439 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HTR2C P28335 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
SCHEMBL9781640 1.00 MAPT (0.61) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10850224 0.92 NR1I2 (0.63) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL9021449 0.92 NR1I2 (0.63) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL9308178 0.92 NR1I2 (0.63) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL8486400 0.90 MAPT (0.74) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL9021853 0.90 MAPT (0.74) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10503326 0.90 MAPT (0.74) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL8486403 0.90 MAPT (0.74) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL9021538 0.90 MAPT (0.74) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10856495 0.89 NR1I2 (0.59) MAPTNR1I2SLC22A6SLC22A8SLC22A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010188-A Cephem derivatives EISAI CO., LTD. (JP) 1991-04-23 — — US disclosed
US-5008260-A Bactericides EISAI CO., LTD. (JP) 1991-04-16 — — US disclosed
EP-0188255-B1 CEPHEM DERIVATIVES Eisai Co., Ltd. (JP) 1991-04-03 — — EP disclosed
US-4748171-A Cephem compounds having at the 3-position a (1,4-methylene-1-piperidinio)methyl group or a (1-quinuclidinio)methyl group EISAI CO., LTD. (JP) 1988-05-31 — — US disclosed
EP-0188255-A2 Cephem derivatives Eisai Co., Ltd. (JP) 1986-07-23 — — EP disclosed
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