SCHEMBL27233293

SCHEMBL27233293

OB(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.52
ORAI1 Q96D31 1/20 0.45
ORAI2 Q96SN7 1/20 0.45
ORAI3 Q9BRQ5 1/20 0.45
TRPV6 Q9H1D0 1/20 0.45
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
LMNA P02545 2/20 0.36
CYP2A6 P11509 1/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL19712647 0.78 ENPP2 (0.59) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL635637 0.78 ENPP2 (0.46) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL6398321 0.78 ENPP2 (0.46) ENPP2ORAI1ORAI2ORAI3TRPV6
Potassium SCHEMBL1305608 0.76 ENPP2 (0.44) ENPP2ORAI1ORAI2ORAI3TRPV6
Ammonia Solution, Strong SCHEMBL27844793 0.76 ENPP2 (0.44) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL28067243 0.76 ENPP2 (0.44) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL1235168 0.76 ENPP2 (0.44) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL27557826 0.76 ENPP2 (0.44) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL27914578 0.74 ENPP2 (0.54) ENPP2ORAI1ORAI2ORAI3TRPV6
SCHEMBL14068806 0.74 ENPP2 (0.54) ENPP2ORAI1ORAI2ORAI3TRPV6

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
EP-4378929-A1 SYNTHESIS OF AROMATIC BORONIC ACIDS ADAMA MAKHTESHIM LTD. (IL) 2024-06-05 EP disclosed