SCHEMBL28575707

SCHEMBL28575707

COC(=O)C(C)(C)c1ccc(CCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.43
ENPP1 P22413 1/20 0.42
RORC P51449 1/20 0.42
PSMD10 O75832 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
STAT3 P40763 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
PPARA Q07869 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL992542 0.88 STAT3 (0.41) ENPP1PSMD10ALDH1A1MEN1KMT2A
SCHEMBL8199145 0.83 BCHE (0.54) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL3662277 0.82 BRS3 (0.48) BRS3RORCCNR1CNR2
SCHEMBL18289524 0.81 CA1 (0.50) ENPP1ALDH1A1MEN1KMT2ASTAT3
SCHEMBL6906905 0.81 CA1 (0.50) ENPP1ALDH1A1MEN1KMT2ASTAT3
SCHEMBL13508559 0.80 IDO1 (0.48) ENPP1PSMD10ALDH1A1MEN1KMT2A
SCHEMBL6311561 0.79 BCHE (0.55) ALDH1A1MEN1KMT2ALMNABCHE
SCHEMBL27799666 0.78 STAT3 (0.41) ENPP1PSMD10ALDH1A1MEN1KMT2A
SCHEMBL4432596 0.77 CA1 (0.49) ENPP1ALDH1A1MEN1KMT2ASTAT3
SCHEMBL7882874 0.77 CA1 (0.44) ENPP1ALDH1A1MEN1KMT2ASTAT3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110893-A Preparation method of bilastine 山东齐环医药科技有限公司 2020-12-22 CN claimed
CN-112110893-A Preparation method of bilastine 山东齐环医药科技有限公司 2020-12-22 CN disclosed
CN-112110893-A Preparation method of bilastine 山东齐环医药科技有限公司 2020-12-22 CN disclosed