SCHEMBL23637251

SCHEMBL23637251

CONC[C@](C)(C=O)NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
CTSS P25774 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.42
SYK P43405 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
MBOAT4 Q96T53 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL24521743 0.81 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2CTSSCA12
SCHEMBL567435 0.79 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CTSSCA12
SCHEMBL10885861 0.78 MEN1 (0.53) MEN1KMT2ASMN1; SMN2CTSSCA12
SCHEMBL3565164 0.77 MEN1 (0.60) MEN1KMT2ASMN1; SMN2CTSSCA12
SCHEMBL30898810 0.77 MEN1 (0.60) MEN1KMT2ASMN1; SMN2CTSSCA12
SCHEMBL4707157 0.77 MEN1 (0.52) MEN1KMT2ASMN1; SMN2CTSSCA12
SCHEMBL6705791 0.77 MEN1 (0.44) MEN1KMT2ASMN1; SMN2CTSSCA12
SCHEMBL6380611 0.76 MEN1 (0.57) MEN1KMT2ASMN1; SMN2CTSSCA12
SCHEMBL16847676 0.76 CTSK (0.52) MEN1KMT2ASMN1; SMN2CTSSCA12
SCHEMBL22261776 0.76 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2CTSSNPC1

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-3407716-B9 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2021-07-14 EP disclosed