SCHEMBL30114992

SCHEMBL30114992

C=CCc1c(C)ccc(O)c1CC=C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.45
XDH P47989 1/20 0.44
GABRA1 P14867 5/20 0.42
GABRB2 P47870 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
ALDH2 P05091 1/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX5 P09917 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5849188 1.00 SRD5A1 (0.45) SRD5A1XDHGABRA1GABRB2MEN1
SCHEMBL323547 0.87 XDH (0.54) SRD5A1XDHGABRA1GABRB2MEN1
SCHEMBL6591933 0.86 SRD5A1 (0.47) SRD5A1XDHGABRA1GABRB2MEN1
SCHEMBL1053052 0.86 XDH (0.42) SRD5A1XDHGABRA1GABRB2MEN1
SCHEMBL11109920 0.86 XDH (0.42) SRD5A1XDHGABRA1GABRB2MEN1
Hydrogen Sulfide SCHEMBL6721312 0.84 XDH (0.52) SRD5A1XDHGABRA1GABRB2MEN1
SCHEMBL10401091 0.82 SRD5A1 (0.41) SRD5A1XDHGABRA1GABRB2MEN1
SCHEMBL2321816 0.82 TRPA1 (0.45) SRD5A1XDHGABRA1GABRB2MEN1
SCHEMBL30023289 0.82 TRPA1 (0.45) SRD5A1XDHGABRA1GABRB2MEN1
SCHEMBL8316943 0.81 GABRA1 (0.39) SRD5A1XDHGABRA1GABRB2MEN1

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
CN-115677980-A Epoxy resin, preparation method thereof and resin composition 华为技术有限公司 2023-02-03 CN disclosed