SCHEMBL7612641

SCHEMBL7612641

C=CC(=O)OCCOC12CCC(C1)C1CC(O)C(O)C12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.33
HPGD P15428 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
SCHEMBL7612885 0.93 TSHR (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30945099 0.83 TSHR (0.33) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14962546 0.65 ALDH1A1 (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL24858188 0.64
SCHEMBL31440185 0.62 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30604742 0.62 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL93462 0.62 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9633534 0.61 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7198671 0.61
SCHEMBL23963473 0.60 ALDH1A1 (0.46) TSHRALDH1A1TP53HIF1AHSD17B10

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-6437052-B1 Monomer having diol structure, polymer thereof, and negative photoresist composition and pattern forming method using the same NEC CORPORATION (JP) 2002-08-20 US disclosed
US-20020016431-A1 Monomer having diol structure, polymer thereof, and negative photoresist composition and pattern forming method using the same background of the invention NEC CORPORATION 2002-02-07 US disclosed
JP-2000143588-A ALICYCLIC (METH)ACRYLATE HAVING DIOL STRUCTURE NEC CORP 2000-05-23 JP disclosed