SCHEMBL7912504

SCHEMBL7912504

C=CC(=O)O[C@]12CCCC[C@@]1(OC(=O)C=C)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 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
SCHEMBL7912501 1.00 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7913335 0.87 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7913332 0.87 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7913290 0.82 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5933911 0.79 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL786273 0.79 ALDH1A1 (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2530578 0.77 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9334801 0.77 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL685834 0.77 CYP19A1 (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5698514 0.77 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218569-B1 CATALYTIC ESTERIFICATION REACTION OF ALICYCLIC ALCOHOL AND UNSATURATED CARBOXYLIC ACID; PHOTOSENSITIVITY DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
EP-1057806-A1 POLYMERIZABLE ALICYCLIC ESTERS AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed