SCHEMBL6375208

SCHEMBL6375208

CC(=O)OB(O)c1ccccc1.CC(C)(C)C(=O)OB(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.41
ALDH1A1 P00352 2/20 0.35
KCNN4 O15554 1/20 0.33
HSD11B1 P28845 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
ENPP2 Q13822 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33

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
SCHEMBL5951647 0.93 ELANE (0.46) ELANEALDH1A1KCNN4HSD11B1CA4
SCHEMBL651370 0.88 ORAI1 (0.42) ELANEALDH1A1CA4CA6CA5A
SCHEMBL1275132 0.75 CES1 (0.41) ELANEKCNN4CA4CA6CA5A
SCHEMBL18424371 0.72 CYP2C19 (0.39) ELANEALDH1A1HSD11B1CA4CA6
SCHEMBL1672441 0.72 ORAI1 (0.46) ALDH1A1CA4CA6CA5ACA7
SCHEMBL28524847 0.70 ELANE (0.44) ELANEALDH1A1CA4CA6CA5A
SCHEMBL28664851 0.70 TRPV6 (0.44) ALDH1A1CA4CA6CA5ACA7
SCHEMBL9621660 0.70 ALDH1A1 (0.44) ELANEALDH1A1CA4CA6CA5A
SCHEMBL13475992 0.70 ORAI1 (0.48) ELANEALDH1A1CA4CA6CA5A
SCHEMBL1237453 0.69 KMT2A (0.42) ALDH1A1KCNN4CA4CA6CA5A

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-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed