SCHEMBL11601661

SCHEMBL11601661

CCCCCCCC(C)Cc1cc(OCc2ccccc2)c(C2=C(CCl)CCC(CCCC)C2)c(OCc2ccccc2)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ PPARG P37231 2/20 0.31
▸ PLG P00747 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ NPC1 O15118 1/20 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
SCHEMBL11601655 0.79 CSNK1E (0.31) KCNH2
SCHEMBL11603181 0.75 — —
SCHEMBL11603875 0.72 CNR2 (0.43) —
SCHEMBL11603717 0.70 NR5A2 (0.34) KCNH2HTR2C
SCHEMBL11603064 0.70 — —
SCHEMBL11601825 0.68 CNR1 (0.42) SIGMAR1
SCHEMBL11603195 0.67 PTGER2 (0.32) —
SCHEMBL11599822 0.66 CNR1 (0.41) SIGMAR1HTR2C
SCHEMBL11602062 0.66 CNR1 (0.43) NPC1
SCHEMBL11604462 0.65 — —

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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