SCHEMBL9542922

SCHEMBL9542922

CCCCCCCCCCCC[C@@H]1CC[C@H](c2ccccc2)C(=O)N1O.CCCCCCCCCCCC[C@H]1[C@H](c2ccccc2)CCC(=O)N1O.CCCCCCCCCC[C@@H]1CC[C@H](c2ccccc2)C(=O)N1O.CCCCCCCCCC[C@@H]1[C@H](c2ccccc2)CCC(=O)N1O.CCCCCCCCCC[C@H]1[C@H](c2ccccc2)CCC(=O)N1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
PTGER2 P43116 3/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
SLC6A9 P48067 2/20 0.33
SLC6A5 Q9Y345 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ABCB1 P08183 3/20 0.33
GRM2 Q14416 3/20 0.33
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
CYP19A1 P11511 2/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL9330032 0.89 MEN1 (0.44) CFTRMEN1KMT2APOLBPTGER2
SCHEMBL9330020 0.89 MEN1 (0.44) CFTRMEN1KMT2APOLBPTGER2
SCHEMBL9329329 0.89 MEN1 (0.44) CFTRMEN1KMT2APOLBPTGER2
SCHEMBL9330028 0.89 MEN1 (0.44) CFTRMEN1KMT2APOLBPTGER2
SCHEMBL9330025 0.89 MEN1 (0.44) CFTRMEN1KMT2APOLBPTGER2
SCHEMBL9330018 0.89 MEN1 (0.44) CFTRMEN1KMT2APOLBPTGER2
SCHEMBL9542082 0.89 MEN1 (0.44) CFTRMEN1KMT2APOLBPTGER2
SCHEMBL9329339 0.89 MEN1 (0.44) CFTRMEN1KMT2APOLBPTGER2
SCHEMBL9329348 0.89 MEN1 (0.44) CFTRMEN1KMT2APOLBPTGER2
SCHEMBL9542078 0.89 MEN1 (0.44) CFTRMEN1KMT2APOLBPTGER2

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
WO-1993008803-A1 CYCLIC HYDROXAMIC ACIDS BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1993-05-13 WO claimed