SCHEMBL7438486

SCHEMBL7438486

CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3CCC[C@@H](C(=O)O)C3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.55
ALDH1A1 P00352 3/20 0.51
NR1H2 P55055 1/20 0.49
GRM3 Q14832 1/20 0.47
HDAC6 Q9UBN7 5/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
USP30 Q70CQ3 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7438496 1.00 ESR2 (0.55) ESR2ALDH1A1NR1H2GRM3HDAC6
SCHEMBL4505068 0.86 ESR2 (0.66) ESR2ALDH1A1NR1H2HDAC6ABL1
SCHEMBL8666651 0.83 ESR2 (0.44) ESR2ALDH1A1NR1H2HDAC6ABL1
SCHEMBL8666652 0.83 ESR2 (0.44) ESR2ALDH1A1NR1H2HDAC6ABL1
SCHEMBL4436390 0.83 HDAC6 (0.58) ESR2ALDH1A1NR1H2HDAC6ABL1
SCHEMBL4514816 0.81 ESR2 (0.56) ESR2ALDH1A1NR1H2HDAC6MEN1
SCHEMBL4433008 0.81 ESR2 (0.53) ESR2ALDH1A1NR1H2HDAC6NPC1
SCHEMBL4520156 0.80 ESR2 (0.57) ESR2NR1H2MEN1KMT2A
SCHEMBL7441693 0.80 ESR2 (0.42) ESR2ALDH1A1NR1H2HDAC6ABL1
SCHEMBL306991 0.80 ESR2 (0.72) ESR2ALDH1A1NR1H2HDAC6USP30

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
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed