SCHEMBL11686985

SCHEMBL11686985

O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(CBr)CS[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.65
▸ L3MBTL1 Q9Y468 4/20 0.51
▸ CTDSP1 Q9GZU7 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ SPOP O43791 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ DNMT1 P26358 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ SLC22A8 Q8TCC7 1/20 0.41
▸ SLC22A11 Q9NSA0 1/20 0.41

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
SCHEMBL11690202 1.00 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1TDP1ALDH1A1
SCHEMBL11682347 0.93 PLCG1 (0.66) PLCG1L3MBTL1CTDSP1TDP1ALDH1A1
SCHEMBL11036803 0.92 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1TDP1ALDH1A1
SCHEMBL11040517 0.92 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1TDP1ALDH1A1
SCHEMBL11036804 0.92 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1TDP1ALDH1A1
SCHEMBL11682103 0.92 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1TDP1ALDH1A1
SCHEMBL11040521 0.92 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1TDP1ALDH1A1
SCHEMBL11650595 0.92 PLCG1 (0.67) PLCG1L3MBTL1CTDSP1TDP1ALDH1A1
SCHEMBL11650593 0.92 PLCG1 (0.67) PLCG1L3MBTL1CTDSP1TDP1ALDH1A1
SCHEMBL7765992 0.92 PLCG1 (0.67) PLCG1L3MBTL1CTDSP1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4048160-A Process for preparation of 7-alkoxy-3-bromomethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 — — US disclosed
US-4042585-A Process for preparation of 3-halomethylcephems ELI LILLY AND COMPANY (US) 1977-08-16 — — US disclosed
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