SCHEMBL1080604

SCHEMBL1080604

CC1c2cccc(NCc3ccccc3)c2CC1(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APEX1 P27695 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC6 Q9UBN7 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GSK3B P49841 1/20 0.36
PPIA P62937 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL1081335 0.74 SLC6A2 (0.36) HSD17B10MEN1KMT2AKDM4EPOLB
SCHEMBL1079427 0.73 LMNA (0.38) MEN1KMT2AALDH1A1POLB
SCHEMBL1080603 0.69 RXRA (0.44) HSD17B10RXRARXRBRXRGMEN1
SCHEMBL27706751 0.66 HSD17B10 (0.41) HSD17B10MEN1KMT2AKDM4EHPGD
SCHEMBL20818909 0.64 HSD17B10 (0.37) HSD17B10RXRARXRBRXRGKDM4E
SCHEMBL13228878 0.64 MAPT (0.49) HSD17B10RXRARXRBRXRGMEN1
Bicarbonate SCHEMBL29049243 0.64 HSD17B10 (0.58) HSD17B10MEN1KMT2AHPGDALDH1A1
SCHEMBL4571036 0.63 HSD17B10 (0.71) HSD17B10MEN1KMT2AKDM4EHPGD
SCHEMBL30464743 0.63 HSD17B10 (0.71) HSD17B10MEN1KMT2AKDM4EHPGD
SCHEMBL5131100 0.63 HTT (0.47) HSD17B10RXRARXRBRXRGKDM4E

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-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
EP-2268625-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-01-05 EP disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed