SCHEMBL21562344

SCHEMBL21562344

COC(=O)CCc1nc(-c2ccccc2-c2cc(C)cc(C)c2)c(-c2ccccc2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 12/20 0.62
▸ RXRB P28702 10/20 0.62
▸ RXRG P48443 5/20 0.62
▸ NR4A2 P43354 8/20 0.58
▸ KDM4E B2RXH2 5/20 0.52
▸ HPGD P15428 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ NR4A1 P22736 2/20 0.52
▸ NR4A3 Q92570 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ C5 P01031 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ TSHR P16473 1/20 0.52

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
SCHEMBL21562393 0.92 RXRA (0.60) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL13448810 0.84 RXRA (0.72) RXRARXRBRXRGNR4A2KDM4E
Hydrochloric Acid SCHEMBL30509618 0.83 RXRA (0.71) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8560771 0.80 RXRA (0.55) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL21562409 0.79 NR1H4 (0.56) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL21565115 0.78 RXRA (0.53) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL21565182 0.77 RXRA (0.65) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL7501971 0.75 NR4A2 (0.64) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL7510698 0.75 NR4A2 (0.64) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL9452907 0.75 RXRA (0.73) RXRARXRBRXRGNR4A2KDM4E

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-2019215426-A1 PROCESS FOR FORMING A CARBON-CARBON BOND THE UNIVERSITY OF MANCHESTER (GB) 2019-11-14 — — WO disclosed
Send feedback