SCHEMBL22694944

SCHEMBL22694944

NC(=O)NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)S

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.46
▸ PTGS2 P35354 4/20 0.46
▸ PTPN1 P18031 3/20 0.41
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ NPY4R P50391 4/20 0.36
▸ NPY5R Q15761 4/20 0.36
▸ NPY1R P25929 3/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ C3AR1 Q16581 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ NMT2 O60551 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL17722910 0.91 PTGS1 (0.46) PTGS1PTGS2PTPN1ITGB3ITGA2B
SCHEMBL18932741 0.91 PTGS1 (0.46) PTGS1PTGS2PTPN1ITGB3ITGA2B
SCHEMBL18909028 0.89 PTGS1 (0.45) PTGS1PTGS2PTPN1ITGB3ITGA2B
SCHEMBL20889018 0.89 PTGS1 (0.45) PTGS1PTGS2PTPN1ITGB3ITGA2B
SCHEMBL21474404 0.89 PTGS1 (0.45) PTGS1PTGS2PTPN1ITGB3ITGA2B
SCHEMBL19681467 0.89 PTGS1 (0.45) PTGS1PTGS2PTPN1ITGB3ITGA2B
SCHEMBL20864073 0.88 PTGS1 (0.44) PTGS1PTGS2PTPN1ITGB3ITGA2B
SCHEMBL22668929 0.88 PTGS1 (0.44) PTGS1PTGS2PTPN1ITGB3ITGA2B
SCHEMBL21034050 0.86 C3AR1 (0.38) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL1325459 0.84 C3AR1 (0.48) PTGS1PTGS2C3AR1FNTAFNTB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020236797-A1 VARIANT CD58 DOMAINS AND USES THEREOF NOVARTIS AG (CH) 2020-11-26 — — WO disclosed
WO-2020236795-A2 TRISPECIFIC BINDING MOLECULES AGAINST BCMA AND USES THEREOF NOVARTIS AG (CH) 2020-11-26 — — WO disclosed
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