SCHEMBL4667005

SCHEMBL4667005

CC(C)c1ccc(C2CCN[C@]2(C)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
P2RY14 Q15391 1/20 0.36
MAPK1 P28482 1/20 0.35
RXRA P19793 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
KARS1 Q15046 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL5009519 0.83 KDM1A (0.42) TMEM97MAPK1GAAMAPT
SCHEMBL11019711 0.82 HTR7 (0.40) TMEM97LMNA
SCHEMBL7359641 0.80 KDM1A (0.41) ALDH1A1P2RY14GAAMAPT
SCHEMBL5691645 0.80 DDB1 (0.40) ALDH1A1TMEM97CYP2C9GAALMNA
SCHEMBL6637379 0.80 SLC6A2 (0.37) ALDH1A1P2RY14GAA
SCHEMBL15157625 0.75 SLC6A2 (0.40) ALDH1A1TMEM97CYP2D6LMNASLC6A3
SCHEMBL4542861 0.70 MGLL (0.38) RXRARXRB
SCHEMBL25350207 0.65 MAPK1 (0.35) MAPK1HIF1ALMNA
SCHEMBL27595976 0.65 ESR2 (0.41) ALDH1A1MAPK1CYP2D6CYP2C9HIF1A
SCHEMBL21610833 0.64 HPGD (0.43) ALDH1A1CHRM2CHRM4CHRNB2CHRNB4

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
EP-1928992-A1 CONSUMER PRODUCTS HAVING VARYING ODORS Henkel AG & Co. KGaA (DE) 2008-06-11 EP disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed