SCHEMBL11078754

SCHEMBL11078754

CC1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)C(NC(=O)C(C(=O)OCc3ccccc3)c3ccccc3)[C@@H]2SC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ ELANE P08246 8/20 0.43
▸ PLCG1 P19174 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ SLC15A2 Q16348 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL11078285 0.90 CYP3A4 (0.45) PTGS1CYP3A4USP2CHRM1ELANE
SCHEMBL11078184 0.88 PLCG1 (0.55) PTGS1CYP3A4USP2CHRM1PLCG1
SCHEMBL11078185 0.88 PLCG1 (0.55) PTGS1CYP3A4USP2CHRM1PLCG1
SCHEMBL11115789 0.86 PTGS1 (0.48) PTGS1CYP3A4ELANEPLCG1ALDH1A1
SCHEMBL11383381 0.84 ELANE (0.38) PTGS1CYP3A4USP2CHRM1ELANE
SCHEMBL11082041 0.81 PTGS1 (0.36) PTGS1CYP3A4USP2CHRM1ELANE
SCHEMBL11082044 0.81 PTGS1 (0.36) PTGS1CYP3A4USP2CHRM1ELANE
SCHEMBL11078750 0.80 PLCG1 (0.39) PTGS1CYP3A4USP2CHRM1ELANE
SCHEMBL11075261 0.78 CTDSP1 (0.46) PTGS1CYP3A4USP2CHRM1PLCG1
SCHEMBL11084610 0.78 PTGS1 (0.44) PTGS1CYP3A4ALDH1A1L3MBTL1CTDSP1

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-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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