SCHEMBL23059633

SCHEMBL23059633

C=CC(=O)OCCCC1C2CC(CCOC(=O)C=C)C(C2)C1CC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TP53 P04637 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HCAR2 Q8TDS4 2/20 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
SCHEMBL22251732 0.96 TSHR (0.43) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21032475 0.91 TSHR (0.43) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL26401138 0.84 TSHR (0.33) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21778998 0.81 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL23104919 0.79 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL12510864 0.76 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL14185125 0.73 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21190228 0.73 TSHR (0.32) TSHR
SCHEMBL22064599 0.72 TSHR (0.39) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL23979426 0.72 TSHR (0.39) TSHRHPGDALDH1A1CYP3A4TP53

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-20210061955-A1 MALEIMIDE RESIN FILM AND COMPOSITION FOR MALEIMIDE RESIN FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-03-04 — — US disclosed
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