SCHEMBL11538240

SCHEMBL11538240

CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3ccccc3)[C@H]2SC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.73
▸ ALDH1A1 P00352 3/20 0.70
▸ L3MBTL1 Q9Y468 2/20 0.70
▸ PLCG1 P19174 1/20 0.65
▸ TDP1 Q9NUW8 4/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ SLC15A2 Q16348 2/20 0.59
▸ BLM P54132 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ HTR2B P41595 1/20 0.59
▸ POLB P06746 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ DUSP3 P51452 1/20 0.56
▸ PTPN5 P54829 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
SCHEMBL11538242 1.00 MAPK1 (0.73) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11187622 1.00 MAPK1 (0.73) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11282498 1.00 MAPK1 (0.73) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11187628 1.00 MAPK1 (0.73) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL6881868 0.90 MAPK1 (0.60) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL9697978 0.90 MAPK1 (0.60) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL9369881 0.90 MAPK1 (0.60) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL9698012 0.90 MAPK1 (0.60) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL9369876 0.90 MAPK1 (0.60) MAPK1ALDH1A1L3MBTL1PLCG1TDP1
SCHEMBL11867023 0.89 MAPK1 (0.60) MAPK1ALDH1A1L3MBTL1PLCG1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 — — US disclosed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 — — US disclosed
US-3932392-A DICYCLOHEXYLAMINE, DIISOPROPYLAMINE BRISTOL-MYERS COMPANY (US) 1976-01-13 — — US disclosed
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