SCHEMBL9198152

SCHEMBL9198152

Cc1noc(C(=O)N2CCCCC2)c1OC(=O)NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TSHR P16473 3/20 0.34
CYP1A2 P05177 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RECQL P46063 1/20 0.34
STAT3 P40763 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TP53 P04637 1/20 0.33
LPAR5 Q9H1C0 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
SCHEMBL9206968 0.82 HPGD (0.40) HPGDHTTKMT2AMEN1NPC1
SCHEMBL9205871 0.82 HPGD (0.40) HPGDHTTKMT2AMEN1NPC1
SCHEMBL9591673 0.79 CYP1A2 (0.41) HPGDHTTKMT2AMEN1NPC1
SCHEMBL9592251 0.71 CYP1A2 (0.43) HPGDHTTKMT2AMEN1NPC1
SCHEMBL9205868 0.70 KMT2A (0.46) HPGDHTTKMT2AMEN1NPC1
SCHEMBL9526216 0.68 ALDH1A1 (0.37) HTTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL28258105 0.64 DRD3 (0.45) HPGDHTTNPC1RAB9AL3MBTL1
SCHEMBL27635004 0.63 HPGD (0.44) HPGDHTTKMT2AMEN1TSHR
SCHEMBL9527271 0.62 ALDH1A1 (0.33) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6559617 0.62 SMN1; SMN2 (0.42) HTTKMT2AMEN1NPC1RAB9A

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
EP-0418667-B1 Carboxylic acid amides BASF AG (DE) 1995-08-16 EP disclosed