SCHEMBL11081835

SCHEMBL11081835

CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(NC(=O)OCc3ccccc3)c3ccccc3)[C@H]2[S+]([O-])C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.46
▸ CTSL P07711 1/20 0.46
▸ OPRK1 P41145 2/20 0.43
▸ ATM Q13315 1/20 0.42
▸ CTSK P43235 7/20 0.41
▸ CTSB P07858 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SLC15A2 Q16348 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL11077487 0.92 CTSS (0.43) CTSSCTSLOPRK1ATMCTSK
SCHEMBL11080033 0.88 CTSS (0.40) CTSSCTSLOPRK1ATMCTSK
SCHEMBL8743305 0.83 PLCG1 (0.41) CTSSCTSKCTSBALDH1A1
SCHEMBL8743301 0.83 PLCG1 (0.41) CTSSCTSKCTSBALDH1A1
SCHEMBL11080922 0.82 CTSS (0.43) CTSSCTSLOPRK1ATMCTSK
SCHEMBL11080633 0.81 ALDH1A1 (0.64) ALDH1A1HSD17B10BLMKMT2ACYP3A4
SCHEMBL11084586 0.79 HSD17B10 (0.39) CTSSCTSKCTSBALDH1A1HSD17B10
SCHEMBL11081308 0.79 HSD17B10 (0.44) ALDH1A1HSD17B10BLMKMT2ACYP3A4
SCHEMBL11670093 0.79 PTGS1 (0.48) CTSSCTSKMAPTHPGDMAPK1
SCHEMBL11670596 0.79 PTGS1 (0.48) CTSSCTSKMAPTHPGDMAPK1

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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