SCHEMBL7782598

SCHEMBL7782598

OB(c1ccccc1)c1ccc(F)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.48
ORAI1 Q96D31 3/20 0.48
ORAI2 Q96SN7 3/20 0.48
ORAI3 Q9BRQ5 3/20 0.48
PCSK9 Q8NBP7 1/20 0.48
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
ENPP2 Q13822 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CXCR5 P32302 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MPI P34949 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FABP4 P15090 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL2408532 0.88 TRPV6 (0.62) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL3639412 0.79 MAPT (0.41) CA4CA6CA5ACA7ENPP2
SCHEMBL29950753 0.79 MAPT (0.41) CA4CA6CA5ACA7ENPP2
SCHEMBL7177934 0.72 TRPV6 (0.52) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL2405808 0.71 TRPV6 (0.72) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL30366540 0.71 HPRT1 (0.46) ALDH1A1TSHRCXCR5KDM4EMPI
SCHEMBL6562728 0.71 HPRT1 (0.46) ALDH1A1TSHRCXCR5KDM4EMPI
SCHEMBL2399844 0.69 TRPV6 (0.48) TRPV6ORAI1ORAI2ORAI3PCSK9
Diphenyl Borinic Acid SCHEMBL40601 0.68 TRPV6 (1.00) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL29953524 0.67 MAPT (0.36) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140947-A1 METHOD FOR PRODUCING MONO-ORGANOBORANES OR DI-ORGANOBORANES Basell Polyolefine GmbH (DE) 2001-10-10 EP disclosed
WO-2000037476-A1 METHOD FOR PRODUCING MONO-ORGANOBORANES OR DI-ORGANOBORANES BASELL POLYOLEFINE GMBH (DE) 2000-06-29 WO disclosed