SCHEMBL3246802

SCHEMBL3246802

O=C(O)CC1CCCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
PPARD Q03181 2/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
BLM P54132 1/20 0.47
KDM4C Q9H3R0 3/20 0.46
KDM5A P29375 2/20 0.46
KDM5B Q9UGL1 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 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
SCHEMBL3590904 0.95 FFAR1 (0.52) FFAR1PPARDTP53L3MBTL1TSHR
SCHEMBL30301824 0.95 FFAR1 (0.52) FFAR1PPARDTP53L3MBTL1TSHR
SCHEMBL7845908 0.88 FFAR1 (0.62) FFAR1PPARD
SCHEMBL7847075 0.88 FFAR1 (0.62) FFAR1PPARD
SCHEMBL1470461 0.88 FFAR1 (0.62) FFAR1PPARD
SCHEMBL2993635 0.83 KDM4C (0.49) TSHRHPGDBLMKDM4CKDM5A
SCHEMBL7038866 0.83 HAO1 (0.53) TSHRBLMKDM4CKDM5AKDM5B
SCHEMBL1568052 0.82 BLM (0.51) TSHRBLMKDM4CKDM5AKDM5B
SCHEMBL830267 0.82 SIGMAR1 (0.49)
SCHEMBL1725811 0.81 BLM (0.50) TSHRBLMKDM4CKDM5AKDM5B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 EP disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
EP-2189440-A1 TRICYCLIC AMINE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed
EP-2189443-A1 TRICYCLIC AMIDE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed