SCHEMBL11713808

SCHEMBL11713808

COC(=O)CC1CCc2cc(OC)ncc2C1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ CHRNA2 Q15822 1/20 0.45
▸ PPARD Q03181 7/20 0.36
▸ LMNA P02545 2/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ RIPK1 Q13546 4/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ NNMT P40261 1/20 0.33
▸ WDR5 P61964 1/20 0.33

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
SCHEMBL11713031 0.89 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA4CHRNA2PPARD
SCHEMBL11460365 0.78 SLC6A9 (0.52) PPARDNQO2MTNR1AMTNR1B
SCHEMBL15464723 0.74 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA4CHRNA2PPARD
SCHEMBL11712965 0.73 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA4CHRNA2PPARD
SCHEMBL22712769 0.69 PPARD (0.52) CHRNB2CHRNB4CHRNA4CHRNA2PPARD
SCHEMBL11831136 0.69 FFAR1 (0.38) PPARDLMNAPPARAFFAR4
SCHEMBL16763017 0.69 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA4CHRNA2KMT2A
SCHEMBL28348568 0.68 CYP11B1 (0.42) CHRNB2CHRNB4CHRNA4CHRNA2PPARD
SCHEMBL11709686 0.67 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA4CHRNA2KMT2A
SCHEMBL11709694 0.67 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA4CHRNA2KMT2A

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-4053476-A 7-AZA-6-ALKOXY-1-TETRALONES G. D. SEARLE & CO. (US) 1977-10-11 — — US disclosed
US-3991061-A Azanaphthaleneacetic acid derivatives G. D. SEARLE & CO. (US) 1976-11-09 — — US disclosed
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