SCHEMBL28758271

SCHEMBL28758271

COC(=O)C(C)(C)c1ccc(CCI)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.54
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ESRRG P62508 5/20 0.39
CYP4A11 Q02928 2/20 0.39
CYP4F2 P78329 1/20 0.39
ESRRB O95718 2/20 0.38
KCNN4 O15554 1/20 0.38
RORC P51449 1/20 0.38
F2RL1 P55085 1/20 0.38
PTPN1 P18031 1/20 0.38
NR1H4 Q96RI1 3/20 0.37
EPHX2 P34913 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL3656294 0.86 CYP4A11 (0.54) BRS3CNR1CNR2ESRRGCYP4A11
SCHEMBL21629639 0.85 BRS3 (0.53) BRS3CNR1CNR2ESRRGCYP4A11
SCHEMBL23583035 0.83 NR1H4 (0.54) BRS3NR1H4EPHX2L3MBTL1LMNA
SCHEMBL24172240 0.83 CYP4A11 (0.57) BRS3CNR1CNR2ESRRGCYP4A11
SCHEMBL8584934 0.83 PLK1 (0.53) BRS3NPC1RAB9ASMN1; SMN2
SCHEMBL8974321 0.83 CNR1 (0.54) BRS3CNR1CNR2KCNN4MEN1
SCHEMBL8860658 0.83 BRS3 (0.49) BRS3CNR1CNR2ESRRGCYP4A11
SCHEMBL5642443 0.82 BRS3 (0.50) BRS3CNR1CNR2CYP4A11CYP4F2
SCHEMBL2601862 0.82 BRS3 (0.50) BRS3CNR1CNR2KCNN4RORC
SCHEMBL24171971 0.82 CYP4A11 (0.58) BRS3CNR1CNR2ESRRGCYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591291-B Bilastine intermediate compound and preparation method thereof 鲁南制药集团股份有限公司 2025-06-17 CN disclosed
CN-114591292-B Bilastine intermediate compounds 鲁南制药集团股份有限公司 2025-06-17 CN disclosed
CN-115745954-A Preparation method of bilastine intermediate 山东新时代药业有限公司 2023-03-07 CN disclosed
CN-114591291-A Bilastine intermediate compound and preparation method thereof 鲁南制药集团股份有限公司 2022-06-07 CN disclosed
CN-114591292-A Bilastine intermediate compound 鲁南制药集团股份有限公司 2022-06-07 CN disclosed