SCHEMBL11316664

SCHEMBL11316664

C=CC(=O)OCCN(CCC)CCCCCC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.59
HPGD P15428 1/20 0.59
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
ZDHHC20 Q5W0Z9 2/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HCAR2 Q8TDS4 2/20 0.41
ATM Q13315 1/20 0.41
DNM1 Q05193 1/20 0.41
THRB P10828 3/20 0.40
KDM5A P29375 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
THRA P10827 1/20 0.37

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
SCHEMBL11320987 1.00 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11304218 1.00 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11307719 0.98 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11316614 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11336583 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL2831578 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11304379 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11304443 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL2829917 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4ZDHHC20
SCHEMBL11310531 0.97 TSHR (0.62) 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