SCHEMBL7953221

SCHEMBL7953221

CSc1ccc(CCC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAOA P21397 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
SLC6A4 P31645 4/20 0.42
ACACB O00763 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL10912165 0.85 ALDH1A1 (0.77) ALDH1A1KDM4ESMN1; SMN2MAOASLC6A2
SCHEMBL46690 0.84 FFAR1 (0.59) ALDH1A1MMP12MMP13LMNAFFAR1
SCHEMBL8540107 0.82 MMP12 (0.46) MMP12MMP13KDM4ESMN1; SMN2MAOA
SCHEMBL5677026 0.82 ALDH1A1 (0.49) ALDH1A1MMP12MMP13KDM4ESMN1; SMN2
SCHEMBL5831249 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2MAOASLC6A2
SCHEMBL26802245 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2MAOASLC6A2
SCHEMBL25917988 0.80 SLC6A4 (0.42) MMP12MMP13MAOASLC6A2SLC6A3
SCHEMBL13485787 0.79 HDAC1 (0.61) SLC6A4
SCHEMBL1445076 0.79 ALDH1A1 (0.69) ALDH1A1LMNARAB9AFFAR1FFAR4
SCHEMBL26804088 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2MAOASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284710-B1 CONTROLLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
EP-0934285-A1 SUBSTITUTING 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AG (DE) 1999-08-11 EP disclosed
WO-1998015539-A1 SUBSTITUTING 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
US-5691385-A PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1997-11-25 US disclosed
US-5643967-A ANIMAL GROWTH REGULATORS OF BETA-PHENETHANOLAMINES FOR FEED EFFICIENCY ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
US-5631298-A B-PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1997-05-20 US disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO disclosed
US-4992473-A Beta-phenethanolamines ELI LILLY AND COMPANY (US) 1991-02-12 US disclosed
US-4849453-A ANIMAL GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1989-07-18 US disclosed
EP-0117647-B1 IMPROVEMENTS IN OR RELATING TO PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1988-08-17 EP disclosed
US-4734437-A PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
US-4690951-A B-PHENETHANGLAMINES; FEED EFFICIENCY AND LEANESS ELI LILLY AND COMPANY (US) 1987-09-01 US disclosed
US-4602044-A β-phenethanolamine antiobesity agents ELI LILLY AND COMPANY (US) 1986-07-22 US disclosed
EP-0146392-A1 B-phenethanolamine antiobesity agents ELI LILLY AND COMPANY (US) 1985-06-26 EP disclosed
EP-0117647-A1 Improvements in or relating to phenethanolamines ELI LILLY AND COMPANY (US) 1984-09-05 EP disclosed