SCHEMBL11077532

SCHEMBL11077532

CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)COc3ccccc3)[C@@H]2[S@@+]([O-])C1=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL11077529 1.00 CTDSP1 (0.37) CTDSP1L3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL11079432 0.88 CTDSP1 (0.44) CTDSP1L3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL11079426 0.88 CTDSP1 (0.44) CTDSP1L3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL11383109 0.87 CTDSP1 (0.38) CTDSP1L3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL11078114 0.84 PTGS1 (0.33) CTDSP1ALDH1A1LMNACYP2C19KDM4E
SCHEMBL11078117 0.84 PTGS1 (0.33) CTDSP1ALDH1A1LMNACYP2C19KDM4E
SCHEMBL11076385 0.83 CTDSP1 (0.36) CTDSP1L3MBTL1ALDH1A1
SCHEMBL11076388 0.83 CTDSP1 (0.36) CTDSP1L3MBTL1ALDH1A1
SCHEMBL11080377 0.82 CTDSP1 (0.39) CTDSP1L3MBTL1ALDH1A1POLBTP53
SCHEMBL11753680 0.82 CTDSP1 (0.39) CTDSP1L3MBTL1ALDH1A1POLBTP53

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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