SCHEMBL11075261

SCHEMBL11075261

CC1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)C(NC(=O)COc3ccccc3)[C@@H]2SC1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PTGS1 P23219 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ PLCG1 P19174 1/20 0.38

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
SCHEMBL11082207 0.86 L3MBTL1 (0.59) CTDSP1L3MBTL1ALDH1A1PTGS1CYP2C19
SCHEMBL11350424 0.86 L3MBTL1 (0.59) CTDSP1L3MBTL1ALDH1A1PTGS1CYP2C19
SCHEMBL11082205 0.86 L3MBTL1 (0.59) CTDSP1L3MBTL1ALDH1A1PTGS1CYP2C19
SCHEMBL10959551 0.86 L3MBTL1 (0.58) CTDSP1L3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL11078737 0.84 CTDSP1 (0.58) CTDSP1L3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL11386850 0.82 CTDSP1 (0.40) CTDSP1L3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL10742739 0.82 L3MBTL1 (0.56) CTDSP1L3MBTL1ALDH1A1PTGS1LMNA
SCHEMBL10742744 0.82 L3MBTL1 (0.56) CTDSP1L3MBTL1ALDH1A1PTGS1LMNA
SCHEMBL11080378 0.81 CTDSP1 (0.48) CTDSP1L3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL11361893 0.80 CTDSP1 (0.47) CTDSP1L3MBTL1ALDH1A1PTGS1USP2

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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