SCHEMBL6535250

SCHEMBL6535250

CC1(C)C2CCC(C2)C1(O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.41
CHRNB4 P30926 4/20 0.41
CHRNA3 P32297 4/20 0.41
CHRNA7 P36544 4/20 0.41
CHRNA4 P43681 4/20 0.41
CHRNA1 P02708 3/20 0.41
CHRNG P07510 3/20 0.41
CHRNB1 P11230 3/20 0.41
CHRND Q07001 3/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
CHRNE Q04844 1/20 0.41
CHRNA2 Q15822 1/20 0.41
NPSR1 Q6W5P4 1/20 0.35
POLA1 P09884 1/20 0.32
HTT P42858 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
SCHEMBL14721187 0.82 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14721186 0.82 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14721240 0.75 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14721239 0.75 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11591723 0.72 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11349478 0.72 NPSR1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4174626 0.71 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2469093 0.70 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11145868 0.66 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Mecamylamine SCHEMBL19815916 0.65 CHRNB2 (0.79) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261572-A4 DERMATOLOGICAL COMPOUNDS APPLIED GENETICS INC DERMATICS (US) 2004-05-26 EP claimed
EP-1261572-A1 DERMATOLOGICAL COMPOUNDS Applied Genetics Incorporated Dermatics (US) 2002-12-04 EP claimed
WO-2001068576-A1 DERMATOLOGICAL COMPOUNDS APPLIED GENETICS INCORPORATED DERMATICS (US) 2001-09-20 WO claimed
US-6214888-B1 Dermatological compounds APPLIED GENETICS INCORPORATED 2001-04-10 US claimed
WO-2000044368-A1 DERMATOLOGICAL COMPOUNDS CODON PHARMACEUTICALS, INC. (US) 2000-08-03 WO claimed
EP-1261572-A4 DERMATOLOGICAL COMPOUNDS APPLIED GENETICS INC DERMATICS (US) 2004-05-26 EP disclosed
EP-1261572-A1 DERMATOLOGICAL COMPOUNDS Applied Genetics Incorporated Dermatics (US) 2002-12-04 EP disclosed
WO-2001068576-A1 DERMATOLOGICAL COMPOUNDS APPLIED GENETICS INCORPORATED DERMATICS (US) 2001-09-20 WO disclosed
US-6214888-B1 Dermatological compounds APPLIED GENETICS INCORPORATED 2001-04-10 US disclosed
WO-2000044368-A1 DERMATOLOGICAL COMPOUNDS CODON PHARMACEUTICALS, INC. (US) 2000-08-03 WO disclosed