SCHEMBL9768558

SCHEMBL9768558

C=C(C)C(=O)OC(C)(C)C(C)CCCC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CTSK P43235 4/20 0.37
CA2 P00918 7/20 0.36
CA1 P00915 4/20 0.36
MAPK1 P28482 1/20 0.35
THRB P10828 1/20 0.33
FDPS P14324 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL11753538 0.95 TSHR (0.45) TSHRCA2CA1FDPS
SCHEMBL23494263 0.90 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL3272797 0.83 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL23494309 0.82 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL4749822 0.82 CTSK (0.41) CTSKCA2CA1MAPK1FDPS
SCHEMBL172030 0.82 TSHR (0.41) TSHRCTSKCA2CA1MAPK1
SCHEMBL984816 0.81 TSHR (0.40) TSHRCTSKCA2CA1MAPK1
Phosphine SCHEMBL11692596 0.80 TSHR (0.39) TSHRCTSKCA2CA1THRB
SCHEMBL2379347 0.80 TSHR (0.46) TSHRCA2CA1FDPS
SCHEMBL4269387 0.80 TSHR (0.46) TSHRCA2CA1

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-5057404-A Storage stability FUJI PHOTO FILM CO., LTD. (JP) 1991-10-15 US disclosed