SCHEMBL9716089

SCHEMBL9716089

CC(C)[C@H](N)C(=O)OC[C@H](N)C(=O)OC[C@H](N)C(=O)OC(=O)[C@@H](N)COC(=O)[C@@H](N)CO.NC(=O)CC[C@H](N)C(=O)OC[C@H](N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GSR P00390 1/20 0.31
CYP1A2 P05177 1/20 0.31
GRIK1 P39086 1/20 0.31
GRM5 P41594 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31

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
SCHEMBL10382573 0.98 ALOX15 (0.43) ALOX15BLMPMP22KMT2ANOS3
Glutamine SCHEMBL9716071 0.92 ALOX15 (0.40) ALOX15BLMPMP22KMT2AGRM8
Glutamine SCHEMBL10496120 0.86 KMT2A (0.59) ALOX15BLMPMP22KMT2ANOS3
Valine SCHEMBL10428653 0.84 ALOX15 (0.53) ALOX15BLMPMP22KMT2ANOS3
Serine SCHEMBL9716102 0.84 ALOX15 (0.56) ALOX15BLMPMP22KMT2ANOS3
Alanine SCHEMBL9716094 0.84 ALOX15 (0.39) ALOX15BLMPMP22KMT2A
SCHEMBL233577 0.81 ALOX15 (0.44) ALOX15BLMPMP22KMT2ANOS3
SCHEMBL9755602 0.81 BHMT (0.34) SLC7A5
SCHEMBL1537454 0.80 ALOX15 (0.47) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL1537291 0.80 ALOX15 (0.47) ALOX15BLMPMP22KMT2ADPP4

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
EP-0467972-A4 RICKETTSIAL ANTIGENS FOR VACCINATION AND DIAGNOSIS 1992-09-02 EP claimed
EP-0467972-A1 RICKETTSIAL ANTIGENS FOR VACCINATION AND DIAGNOSIS WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 1992-01-29 EP claimed
WO-1990012030-A1 RICKETTSIAL ANTIGENS FOR VACCINATION AND DIAGNOSIS WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1990-10-18 WO claimed