SCHEMBL11677903

SCHEMBL11677903

CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)c3ccccc3C(=O)O)[C@@H]2SC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.78
▸ KMT2A Q03164 3/20 0.56
▸ CACNA1B Q00975 1/20 0.56
▸ APBA1 Q02410 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPK1 P28482 2/20 0.51
▸ CYP2C19 P33261 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ SLC15A2 Q16348 2/20 0.45
▸ BLM P54132 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 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
SCHEMBL11677901 1.00 PLCG1 (0.78) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11097617 0.91 PLCG1 (0.81) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11654441 0.91 PLCG1 (0.81) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11675991 0.90 PLCG1 (0.63) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11654085 0.90 PLCG1 (0.72) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11675985 0.90 PLCG1 (0.63) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11654089 0.90 PLCG1 (0.72) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11678087 0.89 PLCG1 (0.62) PLCG1KMT2AALDH1A1L3MBTL1HSD17B10
SCHEMBL11678085 0.89 PLCG1 (0.62) PLCG1KMT2AALDH1A1L3MBTL1HSD17B10
SCHEMBL11677582 0.89 PLCG1 (0.61) PLCG1KMT2ACACNA1BAPBA1ALDH1A1

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-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
Send feedback