SCHEMBL23729372

SCHEMBL23729372

CC(C)(C)c1cc(-c2cc(-c3cccc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4)c3)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 8/20 0.51
RXRA P19793 7/20 0.51
KIF11 P52732 1/20 0.49
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CNR1 P21554 2/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
RXRG P48443 4/20 0.40
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
DHODH Q02127 1/20 0.37
CYP19A1 P11511 1/20 0.37
CNR2 P34972 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL23959632 1.00 RXRB (0.51) RXRBRXRAKIF11KDM4EGAA
SCHEMBL23959636 0.96 KIF11 (0.54) RXRBRXRAKIF11KDM4EGAA
SCHEMBL23959671 0.93 RXRB (0.53) RXRBRXRAKIF11MAPTCNR1
SCHEMBL23959670 0.93 RXRB (0.53) RXRBRXRAKIF11MAPTCNR1
SCHEMBL23959672 0.93 RXRB (0.53) RXRBRXRAKIF11MAPTCNR1
SCHEMBL23959652 0.93 RXRB (0.53) RXRBRXRAKIF11MAPTCNR1
SCHEMBL23959761 0.91 RXRB (0.55) RXRBRXRAKIF11KDM4EMAPT
SCHEMBL23959627 0.89 RXRB (0.53) RXRBRXRAKIF11KDM4EGAA
SCHEMBL23928340 0.89 RXRB (0.53) RXRBRXRAKIF11KDM4EGAA
SCHEMBL23959655 0.89 RXRA (0.47) RXRBRXRAKIF11KDM4EGAA

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-3858945-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2021-08-04 EP disclosed