SCHEMBL3375803

SCHEMBL3375803

C=CC(C)(CCC=C(C)C)C(C(=O)O)C(=O)CCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.38
CES2 O00748 1/20 0.36
BLM P54132 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GMNN O75496 2/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
POLB P06746 2/20 0.35
CYP2C9 P11712 2/20 0.35
APEX1 P27695 2/20 0.35
CYP2C19 P33261 2/20 0.35
RECQL P46063 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TERT O14746 3/20 0.34
MAPT P10636 2/20 0.34
FABP4 P15090 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DUSP3 P51452 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
SCHEMBL3375028 0.80 ALOX15 (0.47) ALOX15ATM
Palmitic Acid SCHEMBL19212594 0.74 ALOX15 (0.61) ALOX15BLMHSD17B10GMNNUSP2
Linalool SCHEMBL28880240 0.74 ALOX15 (0.61) ALOX15BLMHSD17B10GMNNUSP2
Myristic Acid SCHEMBL19212588 0.74 ALOX15 (0.61) ALOX15BLMHSD17B10GMNNUSP2
Decanoic Acid SCHEMBL19212593 0.74 ALOX15 (0.61) ALOX15BLMHSD17B10GMNNUSP2
SCHEMBL1705141 0.73 ALOX15 (0.44) ALOX15BLMCHRM1ATM
SCHEMBL1705365 0.73 ALOX15 (0.46) ALOX15ATM
SCHEMBL1716985 0.72 ALOX15 (0.49) ALOX15ATM
Linalool SCHEMBL28237067 0.72 ALOX15 (0.63) ALOX15BLMHSD17B10GMNNUSP2
SCHEMBL6897165 0.71 ALOX15 (0.41) ALOX15CYP3A4PTPN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955994-B1 FRAGRANCE DELIVERY SYSTEMS FOR PERSONAL CARE ARTICLES PROCTER & GAMBLE (US) 2010-11-03 EP claimed
EP-0927238-B1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES PROCTER & GAMBLE (US) 2003-05-21 EP claimed
EP-0922084-B1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING BETA-KETOESTER PRO-FRAGRANCES PROCTER & GAMBLE (US) 2002-11-13 EP claimed
EP-0922085-B1 FRAGRANCE DELIVERY SYSTEM FOR LIQUID DETERGENT COMPOSITIONS PROCTER & GAMBLE (US) 2000-10-11 EP claimed