SCHEMBL8458037

SCHEMBL8458037

CC(C)(C)c1ccc(C=Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.69
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
MAPT P10636 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
TP53 P04637 1/20 0.64
CYP3A4 P08684 1/20 0.64
ALOX15 P16050 1/20 0.64
MAPK1 P28482 1/20 0.64
BLM P54132 1/20 0.64
CASP7 P55210 1/20 0.64
HSD17B10 Q99714 1/20 0.64
RARB P10826 1/20 0.62
RARG P13631 1/20 0.62
CYP1A2 P05177 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MITF O75030 1/20 0.60
GAA P10253 1/20 0.60

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
SCHEMBL8458033 1.00 SRD5A2 (0.69) SRD5A2CA1CA2MAPTSMN1; SMN2
Benzoic Acid SCHEMBL19875753 0.93 SRD5A2 (0.59) SRD5A2CA1CA2MAPTSMN1; SMN2
SCHEMBL8459973 0.88 MAPT (0.78) SRD5A2CA1CA2MAPTSMN1; SMN2
SCHEMBL8459972 0.88 MAPT (0.78) SRD5A2CA1CA2MAPTSMN1; SMN2
SCHEMBL36693 0.88 SRD5A2 (0.87) SRD5A2CA1CA2MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL1017064 0.86 SRD5A2 (0.83) SRD5A2CA1CA2MAPTSMN1; SMN2
SCHEMBL592353 0.86 SRD5A2 (0.83) SRD5A2CA1CA2MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL3842685 0.86 SRD5A2 (0.83) SRD5A2CA1CA2MAPTSMN1; SMN2
SCHEMBL9120613 0.86 SRD5A2 (0.83) SRD5A2CA1CA2MAPTSMN1; SMN2
SCHEMBL205291 0.86 SRD5A2 (0.83) SRD5A2CA1CA2MAPTSMN1; SMN2

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
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed