SCHEMBL3836018

SCHEMBL3836018

CSc1ccc(C(C)(C)C(=O)OC(C(=O)O)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PLK1 P53350 1/20 0.38
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
FPR2 P25090 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ACE P12821 1/20 0.33
ELANE P08246 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1626972 0.82 ALDH1A1 (0.39) KIF11EPHX2NR1H4PLK1TAS1R3
SCHEMBL1626673 0.78 PLK1 (0.47) KIF11EPHX2NR1H4PLK1TAS1R3
SCHEMBL1626435 0.76 PLK1 (0.47) KIF11EPHX2NR1H4PLK1AKR1C3
SCHEMBL1626676 0.74 CNR2 (0.46) KIF11EPHX2NR1H4PLK1TAS1R3
SCHEMBL12260669 0.69 SMN1; SMN2 (0.48) KIF11EPHX2NR1H4PLK1AKR1C3
SCHEMBL6898376 0.66 MAPT (0.52) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL14269723 0.66 ALDH1A1 (0.51) KIF11EPHX2NR1H4PLK1AKR1C3
SCHEMBL28044958 0.65 MAPT (0.50) ALDH1A1ELANETSHRMAPK1MAPT
Hydrochloric Acid SCHEMBL28209912 0.65 KMT2A (0.50) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL15023275 0.64 SMN1; SMN2 (0.56) ALDH1A1TSHRMAPK1SMN1; SMN2LMNA

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-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 WO disclosed