SCHEMBL6595324

SCHEMBL6595324

C[C@H](NC1CC1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX1 P07099 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
ABCB1 P08183 3/20 0.36
BTK Q06187 1/20 0.36
GAA P10253 1/20 0.35
CTSK P43235 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
SCHEMBL6595320 1.00 CA12 (0.40) CA12CA14ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL5765157 0.98 CA12 (0.39) CA12CA14ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL5765152 0.98 CA12 (0.39) CA12CA14ALDH1A1KMT2AMEN1
SCHEMBL1840761 0.91 EPHX1 (0.48) CA12CA14ALDH1A1KMT2AMEN1
SCHEMBL1840760 0.91 EPHX1 (0.48) CA12CA14ALDH1A1KMT2AMEN1
SCHEMBL6928093 0.91 EPHX1 (0.48) CA12CA14ALDH1A1KMT2AMEN1
SCHEMBL15000754 0.88 EPHX1 (0.39) CA12CA14ALDH1A1KMT2AMEN1
SCHEMBL27498682 0.88 EPHX1 (0.39) CA12CA14ALDH1A1KMT2AMEN1
SCHEMBL18287100 0.82 ALDH1A1 (0.36) CA12CA14ALDH1A1KMT2AMEN1
SCHEMBL19292393 0.82 ALDH1A1 (0.36) CA12CA14ALDH1A1KMT2AMEN1

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-1373249-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed
WO-2002072573-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-09-19 WO disclosed
US-4256761-A Antihypertensive amides USV PHARMACEUTICAL CORPORATION (US) 1981-03-17 US disclosed