SCHEMBL7885175

SCHEMBL7885175

C#CC1CCCCN1C(=O)OC(C)(C)C.C#CC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.46
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
PREP P48147 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL7885177 1.00 HPGD (0.48) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL16041071 0.89 HPGD (0.55) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL192227 0.88 MEN1 (0.58) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL5553211 0.88 MEN1 (0.58) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL2789282 0.88 MEN1 (0.58) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL15317053 0.86 HPGD (0.50) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL10082580 0.86 HPGD (0.50) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL525478 0.86 HPGD (0.50) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL889059 0.85 HSD17B10 (0.55) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL3188564 0.85 HSD17B10 (0.55) HPGDMEN1ALDH1A1MAPTKMT2A

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
EP-1147093-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-10-24 EP disclosed
WO-2000044728-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-08-03 WO disclosed