SCHEMBL7080326

SCHEMBL7080326

O=C(O)C=C1CC=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32
PTPRC P08575 1/20 0.32
THRB P10828 1/20 0.32
IDO1 P14902 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
PTPN1 P18031 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32

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
SCHEMBL29972166 0.81
SCHEMBL7080502 0.77
SCHEMBL11550127 0.76 HSD17B10 (0.33) KDM4EMAPTALDH1A1POLBHPGD
SCHEMBL11546691 0.74 NLRP3 (0.36) KDM4EMAPTPKMMEN1ALDH1A1
SCHEMBL27855880 0.74 CYP1A2 (0.33) KDM4EMAPTPKMMEN1ALDH1A1
Lithium Ion SCHEMBL29363019 0.73 KDM4E (0.31) KDM4EMAPTPKMMEN1ALDH1A1
SCHEMBL29454416 0.72 MEN1 (0.42) KDM4EMAPTPKMMEN1ALDH1A1
SCHEMBL677773 0.72 MEN1 (0.42) KDM4EMAPTPKMMEN1ALDH1A1
SCHEMBL9391424 0.71 HTR6 (0.44) KDM4EMAPTPKMMEN1ALDH1A1
SCHEMBL9391416 0.71 HTR6 (0.44) KDM4EMAPTPKMMEN1ALDH1A1

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-1144365-A3 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP disclosed
EP-1144365-A2 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-10-17 EP disclosed
WO-2000037429-A2 INHIBITORS OF α4β1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-06-29 WO disclosed