SCHEMBL7004722

SCHEMBL7004722

C1=CC(B(c2ccccc2)c2ccccc2)=CCC1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.31
ORAI2 Q96SN7 2/20 0.31
ORAI3 Q9BRQ5 2/20 0.31
TRPV6 Q9H1D0 2/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
ENPP2 Q13822 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
PCSK9 Q8NBP7 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
SCHEMBL15906658 0.80 TRPV6 (0.48) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL25718172 0.66
SCHEMBL14140296 0.66
SCHEMBL125450 0.65 TRPV6 (0.53) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL24284446 0.62 GAA (0.31)
SCHEMBL3807753 0.62 ALDH1A1 (0.36)
SCHEMBL991201 0.62 TRPV6 (0.50) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL11103898 0.62 TRPV6 (0.50) ORAI1ORAI2ORAI3TRPV6CA4
Fluoride SCHEMBL5958527 0.62 TRPV6 (0.50) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL3887343 0.62 TRPV6 (0.50) ORAI1ORAI2ORAI3TRPV6CA4

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
WO-2012062655-A2 PHOTOPOLYMER FORMULATION FOR PRODUCING HOLOGRAPHIC MEDIA HAVING HIGHLY CROSS-LINKED MATRIX POLYMERS BAYER MATERIALSCIENCE AG (DE) 2012-05-18 WO disclosed