SCHEMBL11116290

SCHEMBL11116290

CC1=C(C(=O)OCc2ccc3ccccc3c2)N2C(=O)C(NC(=O)C(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3)[C@@H]2SC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 8/20 0.40
▸ PLCG1 P19174 1/20 0.40
▸ PTGS1 P23219 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ SLC15A2 Q16348 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36

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
SCHEMBL11084610 0.89 PTGS1 (0.44) PTGS1ALDH1A1HSD17B10BLMKMT2A
SCHEMBL11103288 0.88 PLCG1 (0.54) PLCG1PTGS1ALDH1A1HSD17B10BLM
SCHEMBL11079376 0.86 ALDH1A1 (0.44) ELANEPTGS1ALDH1A1HSD17B10BLM
SCHEMBL11081310 0.83 ALDH1A1 (0.49) PTGS1ALDH1A1HSD17B10BLMKMT2A
SCHEMBL11078285 0.82 CYP3A4 (0.45) ELANEPTGS1ALDH1A1HSD17B10BLM
SCHEMBL11104006 0.81 CTSB (0.33) ELANEPLCG1PTGS1CACNA1BCTSB
SCHEMBL11077761 0.79 MAPT (0.48) ELANEPLCG1PTGS1ALDH1A1HSD17B10
SCHEMBL11115789 0.79 PTGS1 (0.48) ELANEPLCG1PTGS1ALDH1A1HSD17B10
SCHEMBL11075187 0.78 KMT2A (0.60) PLCG1PTGS1ALDH1A1HSD17B10BLM
SCHEMBL11075190 0.78 KMT2A (0.60) PLCG1PTGS1ALDH1A1HSD17B10BLM

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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