SCHEMBL11316451

SCHEMBL11316451

C=CC(=O)OCCCN(CC)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 6/20 0.45
CYP3A4 P08684 3/20 0.45
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
THRB P10828 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADH1A P07327 2/20 0.35
ADH1C P00326 1/20 0.35
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL11322228 0.88 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11307897 0.85 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11307811 0.85 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11310815 0.85 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11314827 0.83 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11316503 0.82 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL20822 0.74 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL27638630 0.73 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL17522096 0.72 TSHR (0.41) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL111639 0.72 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4TP53

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