SCHEMBL10412277

SCHEMBL10412277

CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)Cc3ccccc3)[C@@H]2SC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 1.00
▸ ALDH1A1 P00352 3/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.69
▸ MAPK1 P28482 2/20 0.66
▸ TDP1 Q9NUW8 4/20 0.57
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ MAPT P10636 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ DUSP3 P51452 1/20 0.51
▸ PTPN5 P54829 1/20 0.51
▸ PTPN11 Q06124 1/20 0.51
▸ CACNA1B Q00975 2/20 0.46
▸ APBA1 Q02410 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ BLM P54132 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL10412275 1.00 PLCG1 (1.00) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11773847 0.94 PLCG1 (0.89) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11773967 0.92 PLCG1 (0.86) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11771771 0.92 PLCG1 (0.86) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11182332 0.92 PLCG1 (0.85) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11411672 0.92 PLCG1 (0.85) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11182329 0.92 PLCG1 (0.85) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11411669 0.92 PLCG1 (0.85) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL9655895 0.91 PLCG1 (0.84) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL8766584 0.91 PLCG1 (0.83) PLCG1ALDH1A1L3MBTL1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4931555-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 — — US disclosed
US-4435321-A BACTERICIDES AND INTERMEDIATES FOR 2- OR 3-CEPHEMS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 — — US disclosed
EP-0014567-B1 PROCESSES FOR PREPARATION OF BETA-LACTAM COMPOUNDS ELI LILLY AND COMPANY (US) 1984-01-18 — — EP disclosed
US-4410458-A GROUP 5B OR 6B METAL COMPOUND OXIDATION CATALYST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-18 — — US disclosed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 — — US disclosed
EP-0014567-A1 Processes for preparation of beta-lactam compounds ELI LILLY AND COMPANY (US) 1980-08-20 — — EP disclosed
US-4211702-A TRIARYLPHOSPHITE-HALOGEN COMPLEX HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1980-07-08 — — US disclosed
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-4091214-A ALPHA-HYDROXY CARBOXYLIC ACID ELI LILLY AND COMPANY (US) 1978-05-23 — — US disclosed
US-4071527-A Certain benzothiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-01-31 — — US disclosed
US-4044002-A ACYL BROMIDES AND A BROMINE SCAVENGER ELI LILLY AND COMPANY (US) 1977-08-23 — — US disclosed
US-4005074-A Process for cleaving an imido side chain from penicillins and cephalosporins ELI LILLY AND COMPANY (US) 1977-01-25 — — US disclosed
US-4001239-A CEPHALOSPORIN CLEAVAGE PROCESS ELI LILLY AND COMPANY (US) 1977-01-04 — — US disclosed
US-3994888-A Cephalosporin cleavage process ELI LILLY AND COMPANY (US) 1976-11-30 — — US disclosed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 — — US disclosed
US-3972774-A BY AN ESTERASE ENZYME FROM BACILLUS ELI LILLY AND COMPANY (US) 1976-08-03 — — US disclosed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 — — US disclosed
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