SCHEMBL1801899

SCHEMBL1801899

COc1ccc(CN2CC[C@@]3(CCCC(C(=O)O)C3)C2=O)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
TSHR P16473 3/20 0.48
MAPK1 P28482 1/20 0.48
BTK Q06187 1/20 0.48
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL1652973 1.00 KMT2A (0.50) KMT2ATSHRMAPK1BTKALDH1A1
SCHEMBL1652976 1.00 KMT2A (0.50) KMT2ATSHRMAPK1BTKALDH1A1
SCHEMBL12076600 0.91 TSHR (0.48) KMT2ATSHRMAPK1BTKALDH1A1
SCHEMBL1651799 0.86 KDM4E (0.45) ALDH1A1KDM4EGAA
SCHEMBL12654462 0.86 ALDH1A1 (0.45) KMT2ATSHRMAPK1BTKALDH1A1
SCHEMBL1650724 0.86 KDM4E (0.45) ALDH1A1KDM4EGAA
SCHEMBL1651250 0.85 BTK (0.43) KMT2ATSHRMAPK1BTKALDH1A1
SCHEMBL1651251 0.85 BTK (0.43) KMT2ATSHRMAPK1BTKALDH1A1
SCHEMBL1650318 0.85 BTK (0.44) KMT2ATSHRMAPK1BTKALDH1A1
SCHEMBL1650320 0.85 BTK (0.44) KMT2ATSHRMAPK1BTKALDH1A1

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-2493304-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2012-09-05 EP disclosed
WO-2011053575-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-05-05 WO disclosed