SCHEMBL16357961

SCHEMBL16357961

C/C=C\C(=C/CC)B(OCC(C)(COB(c1ccccc1)c1ccccc1)COB(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TRPM2 O94759 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ORAI1 Q96D31 1/20 0.30
▸ ORAI2 Q96SN7 1/20 0.30
▸ ORAI3 Q9BRQ5 1/20 0.30
▸ TRPV6 Q9H1D0 1/20 0.30

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
SCHEMBL13354878 0.81 — —
SCHEMBL14187070 0.75 MAPK1 (0.50) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL14187125 0.61 KDM4E (0.39) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL14187140 0.61 MEN1 (0.36) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL7800329 0.59 TSHR (0.56) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL21148081 0.59 ORAI1 (0.37) ORAI1ORAI2ORAI3TRPV6
SCHEMBL21147723 0.57 TRPV6 (0.41) ORAI1ORAI2ORAI3TRPV6
SCHEMBL7796540 0.57 MEN1 (0.63) KDM4EMEN1TRPM2ALDH1A1CYP1A2
SCHEMBL22600767 0.56 ATM (0.41) CYP1A2CYP3A4KMT2A
SCHEMBL25839247 0.56 KMT2A (0.39) KDM4EMEN1ALDH1A1CYP3A4HPGD

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-RE40302-E1 Polyelectrolyte, non-aqueous electrolyte, and electrical device containing the same DAI-ICHI KOGYO SEIYAKU CO. LTD. (JP) 2008-05-06 — — US disclosed
Send feedback