SCHEMBL29655541

SCHEMBL29655541

O=C(O)c1ccc(O)cc1C1CCC(c2cc(O)ccc2C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
CAMKK2 Q96RR4 8/20 0.44
HSD17B10 Q99714 1/20 0.43
ACMSD Q8TDX5 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CAMKK1 Q8N5S9 5/20 0.41
CES2 O00748 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL3443366 0.91 ACMSD (0.53) CA12CA1CA2CA7CA9
SCHEMBL4598601 0.83 KDM4E (0.45) CA12CA1CA2CA7CA9
SCHEMBL7025132 0.82 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7026054 0.82 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7026057 0.82 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7027323 0.82 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7025130 0.82 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL28170365 0.81 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL29154739 0.81 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL15567947 0.79 KDM4E (0.47) CAMKK2POLBCAMKK1MAPT

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
CN-111936547-B Liquid crystal polyester resin, method for producing same, and molded article formed from same 东丽株式会社 2022-05-10 CN disclosed