SCHEMBL4549634

SCHEMBL4549634

O=C(O)c1ccc(-c2ccc(COO)cc2S(=O)(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.45
RXRA P19793 4/20 0.41
RXRB P28702 4/20 0.41
RXRG P48443 3/20 0.41
SRD5A2 P31213 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
RARB P10826 3/20 0.37
EGFR P00533 1/20 0.37
PTGER1 P34995 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4549636 0.83 CA1 (0.37) CA1CA2CA9NPC1RAB9A
SCHEMBL360967 0.81 CDC25B (0.47) FOLH1RXRARXRBRXRGSRD5A2
SCHEMBL13316464 0.76 RARB (0.53) RXRARXRBRXRGSRD5A2SMN1; SMN2
SCHEMBL13316462 0.74 ALDH1A1 (0.56) RXRARXRBRXRGSRD5A2CA12
SCHEMBL2622532 0.73 SRD5A2 (0.39) FOLH1RXRASRD5A2CA12CA1
SCHEMBL361052 0.73 CSNK2A2 (0.50) RXRARXRBSRD5A2CA12CA1
SCHEMBL360228 0.70 CDC25B (0.53) CA12CA1CA2CA9CA14
SCHEMBL361093 0.70 ESR2 (0.36) FOLH1TSHRHPGD
SCHEMBL2622534 0.70 CA1 (0.35) FOLH1CA1CA2
SCHEMBL4549635 0.70 POLB (0.35) HPGD

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
US-8895118-B2 Negative dispersion retardation plate and achromatic circular polarizer CRYSOPTIX K.K. (JP) 2014-11-25 US disclosed
US-20140334002-A1 PATTERNED RETARDER CRYSOPTIX KK (JP) 2014-11-13 US disclosed
US-20120113380-A1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2012-05-10 US disclosed