SCHEMBL29706702

SCHEMBL29706702

NCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.54
ITGA2B P08514 4/20 0.54
CTSK P43235 3/20 0.53
TACR1 P25103 2/20 0.53
CTRB1 P17538 2/20 0.52
CTSL P07711 3/20 0.52
CTSS P25774 2/20 0.52
CTSB P07858 1/20 0.52
IDO1 P14902 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
TPSAB1 Q15661 1/20 0.52
CASP1 P29466 3/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL17878707 1.00 ITGB3 (0.54) ITGB3ITGA2BCTSKTACR1CTRB1
SCHEMBL10723335 0.92 PRSS1 (0.61) ITGB3ITGA2BCTSKTACR1CTSL
SCHEMBL1841203 0.92 PRSS1 (0.61) ITGB3ITGA2BCTSKTACR1CTSL
SCHEMBL13887440 0.92 KYNU (0.60) ITGB3ITGA2BCTSKTACR1CTSL
SCHEMBL22029461 0.92 KYNU (0.60) ITGB3ITGA2BCTSKTACR1CTSL
SCHEMBL1841202 0.92 PRSS1 (0.61) ITGB3ITGA2BCTSKTACR1CTSL
SCHEMBL2597112 0.91 ITGB3 (0.60) ITGB3ITGA2BCTSKTACR1CTRB1
SCHEMBL14561115 0.91 ITGB3 (0.60) ITGB3ITGA2BCTSKTACR1CTRB1
SCHEMBL1023794 0.91 ITGB3 (0.60) ITGB3ITGA2BCTSKTACR1CTRB1
Hydrochloric Acid SCHEMBL28284500 0.90 KYNU (0.59) ITGB3ITGA2BCTSKTACR1CTSL

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
EP-3233889-B1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO LTD (CN) 2022-07-06 EP disclosed