SCHEMBL11602367

SCHEMBL11602367

CCCCCCCCc1cc(OCc2ccccc2)c(C2=C(CCl)CCC(CC)C2)c(OCc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR5A2 O00482 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ BCHE P06276 2/20 0.35
▸ MTNR1A P48039 2/20 0.33
▸ MTNR1B P49286 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ABCB1 P08183 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL11602977 0.88 CNR1 (0.41) NR5A2BCHEMTNR1AMTNR1BCNR1
SCHEMBL11603717 0.88 NR5A2 (0.34) NR5A2KCNH2BCHECNR1CNR2
SCHEMBL11601661 0.81 SIGMAR1 (0.32) KCNH2NPC1HTR2CHTR2B
SCHEMBL11601825 0.80 CNR1 (0.42) NR5A2BCHECNR1CNR2
SCHEMBL11602062 0.78 CNR1 (0.43) NR5A2BCHEMTNR1AMTNR1BCNR1
SCHEMBL11599822 0.78 CNR1 (0.41) NR5A2BCHECNR1CNR2MAOA
SCHEMBL11602360 0.76 KDM4E (0.33) NR5A2KCNH2BCHE
SCHEMBL11603819 0.75 MTNR1A (0.37) MTNR1AMTNR1BCNR2NPC1
SCHEMBL11603064 0.73 — —
SCHEMBL11602110 0.69 CNR2 (0.38) MTNR1AMTNR1BCNR1CNR2NPC1

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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