SCHEMBL11077487

SCHEMBL11077487

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.43
▸ CTSL P07711 1/20 0.43
▸ OPRK1 P41145 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ CTSK P43235 8/20 0.39
▸ CTSB P07858 7/20 0.39
▸ PLCG1 P19174 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL11081835 0.92 CTSS (0.46) CTSSCTSLOPRK1ATMCTSK
SCHEMBL8743301 0.92 PLCG1 (0.41) CTSSCTSKCTSBPLCG1ALDH1A1
SCHEMBL8743305 0.92 PLCG1 (0.41) CTSSCTSKCTSBPLCG1ALDH1A1
SCHEMBL11080033 0.88 CTSS (0.40) CTSSCTSLOPRK1ATMCTSK
SCHEMBL11306239 0.84 MAPK1 (0.46) PLCG1ALDH1A1CYP3A4MAPT
SCHEMBL11306235 0.84 MAPK1 (0.46) PLCG1ALDH1A1CYP3A4MAPT
SCHEMBL10706061 0.84 MAPK1 (0.46) PLCG1ALDH1A1CYP3A4MAPT
SCHEMBL11076132 0.83 CTSS (0.41) CTSSCTSLOPRK1ATMCTSK
SCHEMBL11076122 0.83 ALDH1A1 (0.38) PLCG1ALDH1A1CYP3A4MAPT
SCHEMBL11079544 0.83 PLCG1 (0.55) CTSSCTSLPLCG1ALDH1A1CYP3A4

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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