SCHEMBL31096271

SCHEMBL31096271

COc1ccc(Br)cc1OCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
FBP1 P09467 1/20 0.37
LMNA P02545 1/20 0.36
SMPD1 P17405 1/20 0.35

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
SCHEMBL21823579 1.00 MAPT (0.39) MAPTTHRBPOLBTDP1L3MBTL1
SCHEMBL24901706 0.94 FDPS (0.41) MAPTTHRBPOLBTDP1L3MBTL1
SCHEMBL21823391 0.93 MAPT (0.42) MAPTTHRBPOLBTDP1L3MBTL1
SCHEMBL31096108 0.93 MAPT (0.42) MAPTTHRBPOLBTDP1L3MBTL1
SCHEMBL30967302 0.93 HPGD (0.39) MAPTHPGDRAB9ATSHRKDM4E
SCHEMBL30967300 0.93 HPGD (0.39) MAPTHPGDRAB9ATSHRKDM4E
SCHEMBL28756202 0.83 MAPT (0.43) MAPTSMN1; SMN2KDM4E
SCHEMBL5240512 0.83 ALDH1A1 (0.39) MAPTPOLBTDP1L3MBTL1SMN1; SMN2
SCHEMBL21823526 0.81 FPR2 (0.46) MAPTTHRB
SCHEMBL21823703 0.81 FPR2 (0.46) MAPTTHRB

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-113166177-B Boron-containing PDE4 inhibitors 辉瑞公司 2024-09-03 CN disclosed