SCHEMBL27498682

SCHEMBL27498682

CC(NC1CCNCC1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ABCB1 P08183 3/20 0.37
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 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
SCHEMBL15000754 1.00 EPHX1 (0.39) EPHX1ALDH1A1KMT2AMEN1ABCB1
SCHEMBL19292393 0.91 ALDH1A1 (0.36) EPHX1ALDH1A1KMT2AMEN1ABCB1
SCHEMBL15357359 0.91 ALDH1A1 (0.36) EPHX1ALDH1A1KMT2AMEN1ABCB1
SCHEMBL18287100 0.91 ALDH1A1 (0.36) EPHX1ALDH1A1KMT2AMEN1ABCB1
Hydrochloric Acid SCHEMBL15346173 0.89 ALDH1A1 (0.36) EPHX1ALDH1A1KMT2AMEN1ABCB1
Hydrochloric Acid SCHEMBL15346175 0.89 ALDH1A1 (0.36) EPHX1ALDH1A1KMT2AMEN1ABCB1
Hydrochloric Acid SCHEMBL15346174 0.89 ALDH1A1 (0.36) EPHX1ALDH1A1KMT2AMEN1ABCB1
SCHEMBL6595324 0.88 CA12 (0.40) EPHX1ALDH1A1KMT2AMEN1ABCB1
SCHEMBL6595320 0.88 CA12 (0.40) EPHX1ALDH1A1KMT2AMEN1ABCB1
Hydrochloric Acid SCHEMBL5765157 0.86 CA12 (0.39) EPHX1ALDH1A1KMT2AMEN1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1198613-C Aminophenoxyacetic acid derivatives as neuroprotectants and pharmaceutical composition containing the same FIRST SUNTORY PHARMACEUTICAL L (JP) 2005-04-27 CN disclosed
CN-1287487-A Aminophenoxyacetic acid derivatives and pharmaceutical compositions containing them SUNTORY LTD (JP) 2001-03-14 CN disclosed