SCHEMBL4282246

SCHEMBL4282246

C[C@@]12CCC[C@H]1C1=CC=C3CCCC[C@@]3(C)[C@@H]1CC2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP19A1 P11511 7/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H3 Q13133 7/20 0.31
NR1H2 P55055 3/20 0.31

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
SCHEMBL10932147 1.00 ALDH1A1 (0.34) ALDH1A1MAPTALOX15CYP19A1MEN1
SCHEMBL1891855 1.00 ALDH1A1 (0.34) ALDH1A1MAPTALOX15CYP19A1MEN1
SCHEMBL1891785 0.80 ALDH1A1 (0.53) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL5572206 0.80 ALDH1A1 (0.53) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL1892098 0.80 ALDH1A1 (0.53) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL22262018 0.80 ALDH1A1 (0.53) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL5572209 0.80 MEN1 (0.34) ALDH1A1MAPTALOX15CYP19A1MEN1
SCHEMBL5311225 0.80 NR1H3 (0.35) ALDH1A1MAPTALOX15CYP19A1MEN1
SCHEMBL5308434 0.80 NR1H3 (0.33) ALDH1A1MAPTALOX15CYP19A1MEN1
SCHEMBL8709026 0.79 CYP19A1 (0.47) ALDH1A1ALOX15CYP19A1

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
WO-2009108388-A2 ENZYMATIC PRODUCTION OR CHEMICAL SYNTHESIS AND USES FOR 5,7-DIENES AND UVB CONVERSION PRODUCTS THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-09-03 WO disclosed