SCHEMBL9717417

SCHEMBL9717417

O=C(O)CCNC(=O)c1cccc(C(=O)NCCC(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.65
ITGA2B P08514 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 1/20 0.60
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
PRSS1 P07477 1/20 0.56
CTSG P08311 1/20 0.56
CTRB1 P17538 1/20 0.56
CMA1 P23946 1/20 0.56
ITGA2 P17301 1/20 0.55

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
SCHEMBL3197946 0.90 KDM4E (0.59) ITGB3ITGA2BSMN1; SMN2LMNAHDAC2
SCHEMBL21320455 0.89 LMNA (0.70) ITGB3ITGA2BSMN1; SMN2LMNAHDAC2
Betamipron SCHEMBL605899 0.88 PRSS1 (0.70) SMN1; SMN2LMNAHDAC2HDAC8HDAC6
Betamipron SCHEMBL4498475 0.88 PRSS1 (0.70) SMN1; SMN2LMNAHDAC2HDAC8HDAC6
SCHEMBL3199124 0.88 NPC1 (0.68) ITGB3ITGA2BSMN1; SMN2LMNAHDAC8
SCHEMBL27611122 0.88 LMNA (0.78) ITGB3ITGA2BSMN1; SMN2LMNAGAA
SCHEMBL11675554 0.88 PPARG (0.62) ITGB3ITGA2BSMN1; SMN2LMNAHDAC2
SCHEMBL27371604 0.88 ITGB3 (0.54) ITGB3ITGA2BSMN1; SMN2LMNAHDAC2
SCHEMBL394245 0.88 FABP4 (0.59) ITGB3ITGA2BSMN1; SMN2LMNAPRSS1
SCHEMBL13330099 0.85 LMNA (0.55) ITGB3ITGA2BSMN1; SMN2LMNAHDAC2

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
WO-2023084119-A2 COMPOSITION FOR ASSESSING THE PRESENCE OF MICROORGANISMS IN A TEST SAMPLE Universidad Autónoma de Madrid (ES) 2023-05-19 WO disclosed
EP-4180121-A1 COMPOSITION FOR ASSESSING THE PRESENCE OF MICROORGANISMS IN A TEST SAMPLE Universidad Autónoma de Madrid (ES) 2023-05-17 EP disclosed
US-5086104-A Mixture of thermoplastic resin, elastomer and amide compound, excellent toughtness, heat resistance and durability POLYPLASTICS CO., LTD. (JP) 1992-02-04 US disclosed