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SCHEMBL9735939

SCHEMBL9735939

C=CCOC(=O)C(N1C(=O)[C@@H](CC[C@H]2COC(C)(C)O2)[C@@H]1N1C(=O)c2ccccc2C1=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TMEM97 Q5BJF2 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ AVPR1A P37288 1/20 0.30
▸ ELANE P08246 1/20 0.30

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
SCHEMBL9736833 1.00 NPSR1 (0.32) NPSR1TMEM97SIGMAR1AVPR1AELANE
SCHEMBL10378727 0.80 NPSR1 (0.35) NPSR1TMEM97SIGMAR1AVPR1AELANE
SCHEMBL9736381 0.80 NPSR1 (0.35) NPSR1TMEM97SIGMAR1AVPR1AELANE
SCHEMBL9736590 0.80 NPSR1 (0.35) NPSR1TMEM97SIGMAR1AVPR1AELANE
SCHEMBL9740806 0.79 TMEM97 (0.33) TMEM97SIGMAR1
SCHEMBL10378318 0.79 NPSR1 (0.35) NPSR1TMEM97SIGMAR1AVPR1AELANE
SCHEMBL9736469 0.79 NPSR1 (0.35) NPSR1TMEM97SIGMAR1AVPR1AELANE
SCHEMBL9735937 0.77 ALDH1A1 (0.36) —
SCHEMBL9735579 0.73 NPSR1 (0.36) NPSR1
SCHEMBL9736565 0.73 NPSR1 (0.36) NPSR1

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-5138050-A 6-amido-1-methyl carbapenems MERCK & CO., INC. (US) 1992-08-11 — — US disclosed
WO-1990000170-A1 NOVEL 6-AMIDO-1-METHYLCARBAPENEMS MERCK & CO., INC. (US) 1990-01-11 — — WO disclosed
EP-0350211-A2 Novel 6-amido-1-methyl carbapenems MERCK & CO. INC. (US) 1990-01-10 — — EP disclosed