SCHEMBL7525316

SCHEMBL7525316

COc1cccc2c1-c1ccccc1[CH]2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
TOP1 P11387 1/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
DUSP3 P51452 1/20 0.47
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL28858765 0.93 CA1 (0.42) CA1CA2CA7CA9TOP1
SCHEMBL16174455 0.76 CA1 (0.57) CA1CA2CA7CA9TOP1
SCHEMBL5576493 0.76 CA1 (0.57) CA1CA2CA7CA9TOP1
SCHEMBL218360 0.76 CA1 (0.46) CA1CA2CA7CA9TOP1
SCHEMBL397261 0.73 ALDH1A1 (0.61) CA1CA2CA7CA9TOP1
SCHEMBL2047398 0.72 CD44 (0.44) CA1CA2CA7CA9ALDH1A1
SCHEMBL28148154 0.72 CA1 (0.65) CA1CA2CA7CA9TOP1
SCHEMBL3786465 0.72 ALDH1A1 (0.59) CA1CA2CA7CA9TOP1
SCHEMBL1768310 0.72 TOP1 (0.47) CA1CA2CA7CA9TOP1
SCHEMBL28025427 0.72 ALDH1A1 (0.47) CA1CA2CA7CA9TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773238-B1 Method for controlling the melting points and molecular weights of syndiotactic polyolefins using metallocene catalyst systems FINA TECHNOLOGY (US) 2002-03-20 EP claimed
EP-0773239-B1 Method for controlling the melting points and molecular weights of syndiotactic polyolefins using metallocene catalyst systems FINA TECHNOLOGY (US) 2001-12-05 EP claimed
EP-0773238-B1 Method for controlling the melting points and molecular weights of syndiotactic polyolefins using metallocene catalyst systems FINA TECHNOLOGY (US) 2002-03-20 EP disclosed
US-5688735-A COORDINATION CATALYST FINA TECHNOLOGY, INC. (US) 1997-11-18 US disclosed