SCHEMBL21160404

SCHEMBL21160404

C/C=C\C(=C/CC)c1ccc2occc2c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.45
WNT3A P56704 8/20 0.45
HTR1B P28222 4/20 0.42
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
IDO1 P14902 4/20 0.38
CYP2A6 P11509 1/20 0.37
GPR183 P32249 1/20 0.35

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
SCHEMBL21160822 0.69 HTT (0.48) TAS1R3TAS1R1
SCHEMBL25285106 0.69 CTNNB1 (0.55) CTNNB1WNT3AHTR1BTAS1R3TAS1R1
SCHEMBL2254908 0.69 CTNNB1 (0.68) CTNNB1WNT3AHTR1BTAS1R3TAS1R1
SCHEMBL16617148 0.69 CTNNB1 (0.54) CTNNB1WNT3AHTR1BTAS1R3TAS1R1
SCHEMBL25226696 0.69 CTNNB1 (0.62) CTNNB1WNT3AHTR1BTAS1R3TAS1R1
SCHEMBL20748738 0.68 CYP1A2 (0.30)
SCHEMBL22600767 0.68 ATM (0.41)
SCHEMBL30427297 0.67 CTNNB1 (0.73) CTNNB1WNT3AHTR1BTAS1R3TAS1R1
SCHEMBL14757925 0.67 CTNNB1 (0.73) CTNNB1WNT3AHTR1BTAS1R3TAS1R1
SCHEMBL16441011 0.67 CTNNB1 (0.46) CTNNB1WNT3AHTR1BTAS1R3TAS1R1

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-3508223-A1 COMPOSITION FOR ACTIVATING NEUROGENESIS Kyoto University (JP) 2019-07-10 EP disclosed