SCHEMBL9755020

SCHEMBL9755020

NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
ITGB2 P05107 2/20 0.37
ICAM1 P05362 2/20 0.37
ITGAL P20701 2/20 0.37
CA2 P00918 6/20 0.35
CA1 P00915 4/20 0.35
PTGS1 P23219 1/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35
CTSB P07858 2/20 0.35
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CA4 P22748 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
SCHEMBL18109901 1.00 ECE1 (0.43) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8200006 1.00 ECE1 (0.43) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL901315 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8717807 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8720265 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL5435922 0.97 ECE1 (0.43) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8344856 0.97 ECE1 (0.43) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8422216 0.97 ECE1 (0.43) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8722676 0.97 ECE1 (0.43) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL15442513 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109943553-B Chitinase low-temperature-resistant mutant and application thereof 大连大学 2022-06-07 CN disclosed
CN-109576249-B Acid-resistant mutant of low-temperature-resistant chitinase and application thereof 大连大学 2022-02-22 CN disclosed
CN-109943553-A A kind of low temperature resistant mutant of chitinase and its application 大连大学 2019-06-28 CN disclosed
CN-109576249-A A kind of acid-tolerant mutant of low temperature resistant chitinase and its application 大连大学 2019-04-05 CN disclosed
CN-1179041-C Improved phytases ŵά�Ź�˾ 2004-12-08 CN disclosed
WO-1991013167-A1 IDENTIFICATION AND EXPRESSION OF INSECT STEROID RECEPTOR DNA SEQUENCES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1991-09-05 WO disclosed