SCHEMBL11543129

SCHEMBL11543129

CN1C(C)(C)CC(C(C)(C(=O)O)C(=O)O)CC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
APLNR P35414 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
SCHEMBL4573356 0.83 TSHR (0.37) TSHRNFKB1CYP2C19APLNR
SCHEMBL11177582 0.81 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL5889385 0.76 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL2623474 0.75
SCHEMBL11166056 0.75 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL11465614 0.74 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL11173645 0.74 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL25262962 0.73 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL5649672 0.73 MEN1 (0.33) TSHRNFKB1CYP2C19
SCHEMBL9497581 0.72 TSHR (0.30) TSHRNFKB1CYP2C19

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-4154722-A PHOTOSTABILITY CIBA-GEIGY CORPORATION (US) 1979-05-15 US disclosed