SCHEMBL112749

SCHEMBL112749

CC(C)c1ccc2ncccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 2/20 0.57
MAPT P10636 3/20 0.53
ATM Q13315 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MET P08581 7/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL825931 0.95 ALDH1A1 (0.53) ALDH1A1NPC1RAB9APOLBMAPT
Quinoline SCHEMBL28241576 0.95 ALDH1A1 (0.59) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL22453890 0.90 NPC1 (0.66) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL5082406 0.86 TDP1 (0.46) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL20061110 0.86 NPC1 (0.70) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL21912621 0.85 ALDH1A1 (0.55) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL1328999 0.85 ALDH1A1 (0.55) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL22521436 0.85 ALDH1A1 (0.55) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL188108 0.85 UGT2B7 (0.56) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL6186591 0.85 ALDH1A1 (0.55) ALDH1A1NPC1RAB9APOLBMAPT

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

Appears in 2155 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581114-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Novozymes A/S (DK) 2025-07-09 EP claimed
CN-119698458-A Improvements in or relating to organic compounds improvements relating to organic compounds 诺维信公司 2025-03-25 CN claimed
EP-4514477-A1 FRAGRANCE COMPOSITIONS HAVING LONG-LASTING TRAIL PERFORMANCE Firmenich SA (CH) 2025-03-05 EP claimed
CN-119486703-A Fragrance composition with lasting fragrance appearance 弗门尼舍有限公司 2025-02-18 CN claimed
EP-4096618-B1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2025-01-29 EP claimed
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
EP-4438065-A2 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2024-10-02 EP claimed
US-20240301331-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-09-12 US claimed
US-20240173230-A1 FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2024-05-30 US claimed
US-20160090558-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-20160089462-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-20160089465-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-20160089318-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
CN-101076315-B Sterilization preparation GIVAUDAN SA 2012-03-21 CN claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
US-20080118591-A1 mixture contains perfume ingredients active against gramnegative bacteria; alcohols, aldehydes, ketones, imines, esters compound; low concentrations of Triclosan or other phenolic biocides; for disinfection, cleaning; liquid soaps for washing, shampoo; oral care products, mouth wash, tooth paste GIVAUDAN SA (CH) 2008-05-22 US claimed
CN-101076315-A Sterilization preparation GIVAUDAN SA (CH) 2007-11-21 CN claimed
EP-1853214-A1 BACTERICIDAL FORMULATIONS Givaudan SA (CH) 2007-11-14 EP claimed
WO-2006053458-A1 BACTERICIDAL FORMULATIONS GIVAUDAN SA (CH) 2006-05-26 WO claimed