SCHEMBL11084610

SCHEMBL11084610

CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(C(=O)OCc3ccc4ccccc4c3)c3ccccc3)[C@@H]2SC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ HSD17B10 Q99714 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ TDP1 Q9NUW8 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SLC15A2 Q16348 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ BLM P54132 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NR1I2 O75469 1/20 0.39

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
SCHEMBL11115789 0.90 PTGS1 (0.48) PTGS1ALDH1A1HSD17B10MAPTTDP1
SCHEMBL11116290 0.89 ELANE (0.40) PTGS1ALDH1A1HSD17B10MAPTTDP1
SCHEMBL11075190 0.87 KMT2A (0.60) PTGS1ALDH1A1HSD17B10MAPTTDP1
SCHEMBL11075187 0.87 KMT2A (0.60) PTGS1ALDH1A1HSD17B10MAPTTDP1
SCHEMBL11081310 0.82 ALDH1A1 (0.49) PTGS1ALDH1A1HSD17B10MAPTTDP1
SCHEMBL11084406 0.80 PTGS1 (0.35) PTGS1ALDH1A1HSD17B10MAPTTDP1
SCHEMBL11084374 0.80 PTGS1 (0.35) PTGS1ALDH1A1HSD17B10MAPTTDP1
SCHEMBL11084586 0.79 HSD17B10 (0.39) PTGS1ALDH1A1HSD17B10MAPTTDP1
SCHEMBL11078754 0.78 PTGS1 (0.44) PTGS1ALDH1A1HSD17B10MAPTTDP1
SCHEMBL11103288 0.78 PLCG1 (0.54) PTGS1ALDH1A1HSD17B10MAPTTDP1

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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