SCHEMBL11023779

SCHEMBL11023779

C=CC(=O)OC(CC)C(C)I

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.42
HPGD P15428 1/20 0.37
ALDH1A1 P00352 4/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 2/20 0.32

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
SCHEMBL2046277 0.84 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494343 0.82 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27816092 0.82 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5373230 0.82 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494079 0.81 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL28377508 0.78 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
Ethylene Glycol SCHEMBL6419714 0.78 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23493964 0.78 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28734559 0.78 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
Trimethylammonium SCHEMBL27765128 0.78 TSHR (0.40) 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
EP-0067308-B1 NEUTRALIZING LAYER FOR COLOR TRANSFER ASSEMBLAGES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-03-27 EP disclosed