SCHEMBL11600754

SCHEMBL11600754

C=CC(=O)NC(OCCCC)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
HPGD P15428 2/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
ALDH1A1 P00352 1/20 0.36
PLA2G2C Q5R387 2/20 0.36
ACACB O00763 2/20 0.35
ATM Q13315 1/20 0.34
THRB P10828 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRA P10827 1/20 0.33
TGM2 P21980 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL7889401 0.84 TSHR (0.51) TSHRHPGDZDHHC20ZDHHC2ALDH1A1
SCHEMBL9000273 0.84 TSHR (0.47) TSHRHPGDZDHHC20ZDHHC2ALDH1A1
SCHEMBL18660323 0.81 TSHR (0.47) TSHRHPGDZDHHC20ZDHHC2ALDH1A1
SCHEMBL6904319 0.81 TSHR (0.47) TSHRHPGDZDHHC20ZDHHC2ALDH1A1
SCHEMBL5685783 0.81 TSHR (0.48) TSHRHPGDZDHHC20ZDHHC2ALDH1A1
SCHEMBL9257599 0.80 TSHR (0.44) TSHRHPGDZDHHC20ZDHHC2ALDH1A1
SCHEMBL3836751 0.80 TSHR (0.46) TSHRHPGDZDHHC20ZDHHC2ALDH1A1
SCHEMBL9135477 0.79 TSHR (0.42) TSHRHPGDZDHHC20ZDHHC2ALDH1A1
SCHEMBL29121384 0.79 TSHR (0.40) TSHRHPGDZDHHC20ZDHHC2ALDH1A1
SCHEMBL11041673 0.79 TSHR (0.42) TSHRHPGDZDHHC20ZDHHC2ALDH1A1

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-4093570-A CROSSLINKABLE, MIXED ORGANIC MEDIUM; ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-06 US disclosed