SCHEMBL11236714

SCHEMBL11236714

CCCCC(CC)COP(OCC(CC)CCCC)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 5/20 0.38
ALDH1A1 P00352 5/20 0.38
CA2 P00918 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 3/20 0.34
MAPK1 P28482 2/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ATM Q13315 2/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APP P05067 1/20 0.33
STS P08842 1/20 0.32
RECQL P46063 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
SCHEMBL9008141 0.87 LMNA (0.39) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL4011150 0.83 ALDH1A1 (0.48) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL2150130 0.82 ALDH1A1 (0.40) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL14406489 0.81 LMNA (0.51) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL269427 0.80 ALDH1A1 (0.48) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL9070060 0.80 S1PR1 (0.42) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL5530604 0.80 S1PR1 (0.42) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL21436765 0.79 ALDH1A1 (0.47) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL6243749 0.79 ALDH1A1 (0.35) LMNAHSD17B10CYP3A4ALDH1A1CA2
SCHEMBL28646685 0.77 ALDH1A1 (0.48) LMNAHSD17B10CYP3A4ALDH1A1CA2

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
US-4348494-A FOOD PACKAGING TENNECO CHEMICALS, INC. (US) 1982-09-07 US disclosed