SCHEMBL29200077

SCHEMBL29200077

CCS(=O)(=O)c1ccc(C(C)CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
PSIP1 O75475 2/20 0.47
ABCB11 O95342 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RORC P51449 4/20 0.40
ALDH1A1 P00352 2/20 0.38
RORA P35398 2/20 0.37
TRPA1 O75762 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CA2 P00918 1/20 0.36

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
SCHEMBL17720261 1.00 GAA (0.47) GAAPSIP1ABCB11MEN1KMT2A
SCHEMBL17716833 0.85 GAA (0.44) GAAPSIP1MEN1KMT2ARORC
SCHEMBL6679380 0.84 GAA (0.46) GAAABCB11ALDH1A1TRPA1KDM4E
SCHEMBL10179790 0.84 PSIP1 (0.50) GAAPSIP1MEN1KMT2AALDH1A1
SCHEMBL28631313 0.81 GAA (0.47) GAAPSIP1MEN1KMT2ARORC
SCHEMBL16232116 0.80 GAA (0.55) GAAPSIP1MEN1KMT2ARORC
SCHEMBL30026174 0.80 PSIP1 (0.50) GAAPSIP1MEN1KMT2ARORC
SCHEMBL18440551 0.80 GAA (0.55) GAAPSIP1MEN1KMT2ARORC
SCHEMBL10180779 0.79 GAA (0.59) GAAPSIP1MEN1KMT2ARORC
SCHEMBL23636873 0.79 GAA (0.46) GAAPSIP1KMT2ARORCRORA

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
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed