SCHEMBL5456929

SCHEMBL5456929

C=CC(=O)OCCN1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 7/20 0.47
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HRH3 Q9Y5N1 2/20 0.43
THRB P10828 2/20 0.40
PAOX Q6QHF9 1/20 0.40
KDM4E B2RXH2 2/20 0.38
SLC29A1 Q99808 1/20 0.38
SLC18A3 Q16572 1/20 0.37
HTR1B P28222 1/20 0.37
MEN1 O00255 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL238950 0.93 ALDH1A1 (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12860037 0.93 ALDH1A1 (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13674270 0.88 SLC18A3 (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25561202 0.87 ALDH1A1 (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13780246 0.86 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL67736 0.85 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8551294 0.84 TEAD3 (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10824638 0.84 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21208374 0.84 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL69499 0.84 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155927-A1 Paste resins for aqueous paints CYTEC SURFACE SPECIALTIES AUSTRIA GMBH (AT) 2007-07-05 US claimed
US-20070155927-A1 Paste resins for aqueous paints CYTEC SURFACE SPECIALTIES AUSTRIA GMBH (AT) 2007-07-05 US disclosed
US-3957710-A Paper coating compositions from polymers of olefinically unsaturated monomers BASF AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed