SCHEMBL11599818

SCHEMBL11599818

CCCCCc1c(Cc2ccccc2)c(O)c(C2=C(CBr)CCC(C)C2)c(O)c1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.37
▸ CNR2 P34972 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NR5A2 O00482 2/20 0.32
▸ GCGR P47871 1/20 0.31
▸ TLR8 Q9NR97 2/20 0.31
▸ KCNH2 Q12809 2/20 0.30

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
SCHEMBL11602059 0.91 CNR1 (0.38) CNR1CNR2KDM4EHTTHPGD
SCHEMBL11602967 0.90 CNR1 (0.37) CNR1CNR2KDM4EHTTHPGD
SCHEMBL11601819 0.90 CNR1 (0.37) CNR1CNR2KDM4EHTTHPGD
SCHEMBL11602363 0.87 CNR1 (0.36) CNR1CNR2KDM4EHTTHPGD
SCHEMBL11602876 0.85 CNR2 (0.34) CNR1CNR2KDM4EHTTHPGD
SCHEMBL11602103 0.78 KDM4E (0.35) CNR1CNR2KDM4EHTTHPGD
SCHEMBL11602360 0.78 KDM4E (0.33) KDM4EHTTHPGDLMNATP53
SCHEMBL11603814 0.77 ALDH1A1 (0.35) CNR1CNR2KDM4EHTTHPGD
SCHEMBL11601047 0.77 PPARA (0.38) CNR1CNR2KDM4EHTTHPGD
SCHEMBL11604632 0.76 CNR2 (0.34) CNR1CNR2KDM4EHTTHPGD

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
US-4092344-A Cyclohexenyl resorcinol derivatives ELI LILLY AND COMPANY (US) 1978-05-30 — — US disclosed
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