SCHEMBL11314798

SCHEMBL11314798

C=CC(=O)OCCC(CCCC)NCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
PLA2G2C Q5R387 3/20 0.40
HCAR2 Q8TDS4 2/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.37
THRB P10828 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
EPHX1 P07099 2/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL11309563 0.97 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11306799 0.87 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11313536 0.87 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11316617 0.84 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11304384 0.84 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11336587 0.84 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11304446 0.84 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11307971 0.84 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11316669 0.82 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11304221 0.82 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4ZDHHC20

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-4268602-A Photosensitive O-quinone diazide containing composition TORAY INDUSTRIES, LTD. (JP) 1981-05-19 US disclosed