SCHEMBL4633631

SCHEMBL4633631

C=CC(C)(CCCCC)C(=O)O.C=CC(CC)(CCCCC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CES2 O00748 1/20 0.31
ACLY P53396 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL3271689 0.90 CES2 (0.36) HSD17B10CES2ZDHHC20ZDHHC2
SCHEMBL3276878 0.88 HSD17B10 (0.39) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL3271498 0.87 HSD17B10 (0.41) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL4633633 0.87 HSD17B10 (0.41) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL42251 0.85 TSHR (0.34) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL17255672 0.83 HSD17B10 (0.36) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL10757979 0.80 CES2 (0.40) HSD17B10CES2ZDHHC20ZDHHC2
SCHEMBL20357684 0.80 CES2 (0.36) HSD17B10CES2ZDHHC20ZDHHC2
SCHEMBL20678496 0.75 ALDH1A1 (0.32) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL15443383 0.75 CES2 (0.35) GMNNUSP2CYP1A2POLBCYP3A4

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