SCHEMBL8083423

SCHEMBL8083423

CC1(C)COB(c2ccc(C(=O)O)cc2)OC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.40
SNCA P37840 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SRD5A2 P31213 2/20 0.38
RXRA P19793 6/20 0.37
RXRB P28702 5/20 0.37
RXRG P48443 4/20 0.37
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
TYR P14679 1/20 0.36
DRD1 P21728 1/20 0.36
CA4 P22748 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
SCHEMBL12370780 0.86 L3MBTL1 (0.38) HPGDSNCAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7906012 0.83 TP53 (0.39) TSHRTP53HPGDALDH1A1SMN1; SMN2
SCHEMBL4264297 0.83 SNCA (0.44) SNCACA1CA2CA12CA3
SCHEMBL2273662 0.82 NPC1 (0.56) TSHRHPGDSNCAALDH1A1SMN1; SMN2
SCHEMBL4465763 0.80 TSHR (0.50) TSHRTP53HPGDALDH1A1SMN1; SMN2
SCHEMBL3797602 0.79 ACACB (0.38) HPGDSNCAALDH1A1SMN1; SMN2RARB
SCHEMBL9935185 0.78 SNCA (0.40) HPGDSNCAALDH1A1KDM4ECA1
SCHEMBL25251992 0.78 SNCA (0.36) SNCA
SCHEMBL4257326 0.77 SNCA (0.48) SNCA
SCHEMBL2274567 0.77 LPL (0.42) SNCAP4HB

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-1046640-A2 Process for preparing substituted phenyl boronic acids Clariant GmbH (DE) 2000-10-25 EP disclosed