SCHEMBL11080033

SCHEMBL11080033

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.40
▸ CTSL P07711 2/20 0.40
▸ OPRK1 P41145 2/20 0.38
▸ PLCG1 P19174 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ CTSK P43235 8/20 0.37
▸ CTSB P07858 6/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 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
SCHEMBL11078750 0.89 PLCG1 (0.39) PLCG1CYP3A4USP2CHRM1PTGS1
SCHEMBL11077487 0.88 CTSS (0.43) CTSSCTSLOPRK1PLCG1CTSK
SCHEMBL11081835 0.88 CTSS (0.46) CTSSCTSLOPRK1CTSKCTSB
SCHEMBL11080712 0.85 CTSS (0.38) CTSSCTSLOPRK1BACE1CTSK
SCHEMBL11079715 0.84 PLCG1 (0.53) PLCG1CYP3A4PTGS1ALDH1A1
SCHEMBL11075604 0.84 MAPT (0.39) CYP3A4USP2CHRM1PTGS1ALDH1A1
SCHEMBL11078261 0.83 CYP3A4 (0.38) PLCG1CYP3A4USP2CHRM1PTGS1
SCHEMBL8743301 0.80 PLCG1 (0.41) CTSSPLCG1CTSKCTSBALDH1A1
SCHEMBL8743305 0.80 PLCG1 (0.41) CTSSPLCG1CTSKCTSBALDH1A1
SCHEMBL11086460 0.80 CTSL (0.33) CTSSCTSLOPRK1BACE1CTSK

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
Send feedback