SCHEMBL11076132

SCHEMBL11076132

CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(NC(=O)OCc3ccccc3)c3ccccc3)[C@H]2[S+]([O-])C1=[N+]=[N-]

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.41
▸ CTSL P07711 2/20 0.41
▸ ATM Q13315 1/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ CTSK P43235 7/20 0.36
▸ CTSB P07858 6/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL11080922 0.93 CTSS (0.43) CTSSCTSLATMOPRK1CTSK
SCHEMBL11080712 0.89 CTSS (0.38) CTSSCTSLATMOPRK1CTSK
SCHEMBL11080150 0.85 ELANE (0.30) —
SCHEMBL11080145 0.85 ELANE (0.30) —
SCHEMBL11078117 0.84 PTGS1 (0.33) CYP3A4MAPT
SCHEMBL11078114 0.84 PTGS1 (0.33) CYP3A4MAPT
SCHEMBL11086460 0.83 CTSL (0.33) CTSSCTSLATMOPRK1CTSK
SCHEMBL11077487 0.83 CTSS (0.43) CTSSCTSLATMOPRK1CTSK
SCHEMBL11112544 0.81 PTGS1 (0.38) CYP3A4MAPT
SCHEMBL11077532 0.80 CTDSP1 (0.37) —

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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