SCHEMBL11233280

SCHEMBL11233280

C=CC(=O)OC(O)CCCCC(O)OC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 3/20 0.41
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.31
MAPT P10636 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
SCHEMBL57983 0.90 TSHR (0.48) TSHRHPGDMAPT
SCHEMBL8892195 0.90 TSHR (0.39) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL8853042 0.90 TSHR (0.39) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL8850393 0.90 TSHR (0.39) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL8850672 0.90 TSHR (0.39) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL8852415 0.90 TSHR (0.39) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL211671 0.90 TSHR (0.42) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL28863909 0.90 TSHR (0.38) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL11138630 0.89 TSHR (0.47) TSHRHPGDMAPT
SCHEMBL4153752 0.89 TSHR (0.47) TSHRHPGDMAPT

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-4331718-A Process for the production of adhesive-repellent coatings BEIERSDORF AG (DE) 1982-05-25 US disclosed