SCHEMBL18596154

SCHEMBL18596154

C=CC(=O)OCCC(C)C(F)(F)C(C)CCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 2/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL24600153 0.83 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494074 0.78 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL676520 0.77 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20015418 0.76 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18084880 0.76 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18084879 0.75 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8373745 0.74 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29012244 0.74 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
Bromide SCHEMBL21245514 0.74 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL34661 0.74 TSHR (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9587105-B2 Fluorinated acrylate block copolymers with low dynamic surface tension BASF SE (DE) 2017-03-07 US disclosed