SCHEMBL10883003

SCHEMBL10883003

CC[Zr](CC)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.42
LTA4H P09960 5/20 0.41
TSHR P16473 1/20 0.39
KCNA3 P22001 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 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
SCHEMBL7596938 0.73 TSHR (0.39) CA4LTA4HTSHRKCNA3TP53
SCHEMBL8855647 0.70 CA4 (0.48) CA4LTA4HTSHRKCNA3CHRNB2
SCHEMBL7184384 0.70 CA4 (0.48) CA4LTA4HTSHRKCNA3LMNA
SCHEMBL8855663 0.70 CA4 (0.48) CA4LTA4HTSHRKCNA3LMNA
SCHEMBL7593433 0.70 TAAR1 (0.45) CA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1361710 0.69 LTA4H (0.50) CA4LTA4HTSHRKCNA3L3MBTL1
SCHEMBL20513269 0.67 LTA4H (0.35) CA4LTA4HTSHRKCNA3CHRNB2
SCHEMBL20513571 0.67 LTA4H (0.35) CA4LTA4HTSHRKCNA3CHRNB2
Diphenylether SCHEMBL296590 0.67 LTA4H (0.75) CA4LTA4HTSHRLMNA
Anisole SCHEMBL29140287 0.67 CA4 (0.74) CA4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083839-B1 PROCESS FOR PRODUCING INORGANIC FIBER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-03-05 EP disclosed
US-4495121-A SPINNING A POLYMETALOXANE, CALCINING SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1985-01-22 US disclosed
EP-0083839-A2 Process for producing inorganic fiber SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-20 EP disclosed