SCHEMBL11063141

SCHEMBL11063141

N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.57
▸ PRCP P42785 1/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ TSHR P16473 3/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ CTSK P43235 2/20 0.49
▸ CTSL P07711 1/20 0.49
▸ KDM1A O60341 1/20 0.49
▸ RCOR1 Q9UKL0 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GFER P55789 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47

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
SCHEMBL11063150 1.00 CTRB1 (0.57) CTRB1PRCPKMT2ATSHRCYP3A4
SCHEMBL29872221 0.90 DPP4 (0.52) CTRB1
SCHEMBL29388202 0.89 PREP (0.51) CTRB1PRCPKMT2ATSHRCYP3A4
SCHEMBL18831935 0.88 KDM1A (0.51) CTRB1PRCPKMT2ATSHRCYP3A4
SCHEMBL18831932 0.88 KDM1A (0.51) CTRB1PRCPKMT2ATSHRCYP3A4
SCHEMBL11009027 0.88 CTRB1 (0.55) CTRB1PRCPKMT2ATSHRCYP3A4
SCHEMBL29561678 0.86 CTRB1 (0.42) CTRB1PRCPKMT2ATSHRCYP3A4
SCHEMBL9450497 0.86 DPP4 (0.47) CTRB1
SCHEMBL11876510 0.86 TSHR (0.53) CTRB1PRCPKMT2ATSHRCYP3A4
SCHEMBL11876500 0.86 TSHR (0.53) CTRB1PRCPKMT2ATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4434095-A Cyclic analogue of naturally-occurring phagocytosis-stimulant peptide - threonyl-cyclo-[-N.sup.ε -lysyl-prolyl-arginyl] INSTITUTE ORGANICHESKOGO SINTEZA (SU) 1984-02-28 — — US disclosed
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