SCHEMBL7517841

SCHEMBL7517841

CC(C)(C)c1c[c]cc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.46
RXRB P28702 4/20 0.46
RXRG P48443 1/20 0.46
SRD5A2 P31213 1/20 0.46
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1H4 Q96RI1 3/20 0.40
EPHX2 P34913 2/20 0.40
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL2879040 0.84 MAPT (0.38) RXRARXRBRXRGSRD5A2RARB
SCHEMBL16952040 0.82 EPHX2 (0.38) RXRARXRBRXRGSRD5A2RARG
SCHEMBL3279349 0.80 CES2 (0.47) RXRARXRBRXRGSRD5A2HSD17B10
SCHEMBL4282645 0.79 ALDH1A1 (0.43) TDP1MAPTKIF11CA1CA12
Water SCHEMBL28383353 0.79 RXRB (0.57) RXRARXRBRXRGSRD5A2RARB
SCHEMBL398487 0.78 TSHR (0.45) SRD5A2TDP1SMN1; SMN2TP53MAPT
SCHEMBL7522303 0.77 TPMT (0.56) RXRARXRBSRD5A2TDP1SMN1; SMN2
SCHEMBL166878 0.76 RXRB (0.59) RXRARXRBRXRGSRD5A2RARB
SCHEMBL501957 0.76 RXRB (0.64) RXRARXRBRXRGSRD5A2RARB
SCHEMBL61700 0.75 GABRA1 (0.46) RXRARXRBRXRGTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
WO-2002005616-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2002-01-24 WO disclosed