SCHEMBL26280691

SCHEMBL26280691

CCCCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)CCCC)ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.39
▸ CNR1 P21554 9/20 0.39
▸ RORC P51449 2/20 0.39
▸ PGR P06401 1/20 0.39
▸ RORA P35398 1/20 0.39
▸ RORB Q92753 1/20 0.39
▸ ACP1 P24666 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ PDE5A O76074 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
SCHEMBL12132275 0.91 CNR2 (0.41) CNR2CNR1RORCPGRRORA
SCHEMBL12132336 0.90 CNR2 (0.37) CNR2CNR1RORCPGRRORA
SCHEMBL16152345 0.89 PGR (0.40) CNR2CNR1RORCPGRRORA
SCHEMBL11984186 0.86 CNR2 (0.47) CNR2CNR1RORCPGRRORA
SCHEMBL23604787 0.81 ABCG2 (0.47) RORCPGRRORARORBABCG2
SCHEMBL19558571 0.80 CNR2 (0.48) CNR2CNR1ACP1TP53SMN1; SMN2
SCHEMBL19501726 0.78 CNR2 (0.46) CNR2CNR1ACP1TP53SMN1; SMN2
SCHEMBL12033588 0.78 ABCG2 (0.42) RORCPGRRORARORBABCG2
SCHEMBL25000880 0.77 ABCG2 (0.47) RORCPGRRORARORBABCG2
SCHEMBL25000877 0.76 ABCG2 (0.41) RORCRORARORBABCG2TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295449-A1 COMPOSITION AND LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 — — US disclosed
US-20230295449-A1 COMPOSITION AND LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 — — US disclosed
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