SCHEMBL11080378

SCHEMBL11080378

CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)COc3ccccc3)[C@@H]2SC1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPK1 P28482 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SLC15A2 Q16348 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11267819 0.92 CTDSP1 (0.47) CTDSP1L3MBTL1ALDH1A1CYP2C19LMNA
SCHEMBL11267825 0.92 CTDSP1 (0.47) CTDSP1L3MBTL1ALDH1A1CYP2C19LMNA
SCHEMBL11078737 0.86 CTDSP1 (0.58) CTDSP1L3MBTL1ALDH1A1CYP2C19LMNA
SCHEMBL11802853 0.85 MAPK1 (0.56) CTDSP1L3MBTL1ALDH1A1CYP2C19LMNA
SCHEMBL9475863 0.85 MAPK1 (0.56) CTDSP1L3MBTL1ALDH1A1CYP2C19LMNA
SCHEMBL10975799 0.85 MAPK1 (0.56) CTDSP1L3MBTL1ALDH1A1CYP2C19LMNA
SCHEMBL11001684 0.85 MAPK1 (0.56) CTDSP1L3MBTL1ALDH1A1CYP2C19LMNA
SCHEMBL9475868 0.85 MAPK1 (0.56) CTDSP1L3MBTL1ALDH1A1CYP2C19LMNA
SCHEMBL11197429 0.84 CTDSP1 (0.44) CTDSP1L3MBTL1ALDH1A1CYP2C19LMNA
SCHEMBL11197430 0.84 CTDSP1 (0.44) CTDSP1L3MBTL1ALDH1A1CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040494-B1 CARBAPENAMS AND CARBAPEN-2-EMS AND PROCESS THEREFOR PFIZER INC. (US) 1984-02-15 — — EP disclosed
US-4429128-A CARBAPENICILLINS, THIENAMYCINS, BACTERICIDES PFIZER INC. (US) 1984-01-31 — — US disclosed
US-4348264-A Photocatalyzed process for producing carbapenams and carbapen-2-ems PFIZER INC. (US) 1982-09-07 — — US disclosed
EP-0040494-A1 Carbapenams and carbapen-2-ems and process therefor PFIZER INC. (US) 1981-11-25 — — EP disclosed
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