SCHEMBL14989201

SCHEMBL14989201

CC(C)CCCCCCOC(=O)c1cc(C(=O)OCCCCCCC(C)C)c(C(=O)OCCCCCCC(C)C)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38

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
SCHEMBL829436 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL827992 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL829165 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL828785 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL4823377 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL828641 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL828840 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL14989321 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL828793 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL829297 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567470-B1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2013-06-05 EP claimed