SCHEMBL3465880

SCHEMBL3465880

C[CH]Cc1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2A6 P11509 2/20 0.44
CYP1A2 P05177 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
AGXT P21549 2/20 0.42
CHRM2 P08172 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL9154630 0.88 ALDH1A1 (0.39) IDO1TP53ALDH1A1
SCHEMBL11400752 0.80 MAOB (0.52) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL9064997 0.80 IDO1 (0.50) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL10635864 0.79 AGXT (0.50) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL2132369 0.79 AGXT (0.50) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL7642459 0.78 IDO1 (0.48) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL29443 0.78 IDO1 (0.48) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL13214792 0.78 IDO1 (0.48) IDO1ACHETDP1CYP2A6CYP1A2
SCHEMBL9249830 0.78 TP53 (0.46) IDO1TDP1CYP2A6TAAR1TP53
SCHEMBL22273532 0.76 ALDH1A1 (0.32) TP53ALDH1A1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1052968-B1 ALPHA-AMIDES OF(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2007-12-05 EP claimed
EP-1047391-A4 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2005-01-19 EP claimed
EP-1052968-A4 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2004-09-15 EP claimed
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP claimed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO claimed
US-6238655-B1 USEFUL IN THE FORMULATION OF DEODORANTS, ANTIPERSPIRANTS, BODY SPRAYS, AND OTHER SKIN TREATMENT COMPOSITIONS. THE GILLETTE COMPANY 2001-05-29 US claimed
EP-1052968-A1 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-22 EP claimed
EP-1047391-A1 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-02 EP claimed
US-5932198-A α-amides of L-amino acids as fragrance precursors THE GILLETTE COMPANY (US) 1999-08-03 US claimed
WO-1999030679-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO claimed
WO-1999030680-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO claimed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO disclosed
EP-1052968-B1 ALPHA-AMIDES OF(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2007-12-05 EP disclosed
EP-1047391-A4 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2005-01-19 EP disclosed
EP-1052968-A4 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2004-09-15 EP disclosed
CN-1086810-A Condensed heterocyclic derivative and agricultural or horticultural fungicide containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-05-18 CN disclosed
EP-0587110-A2 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-16 EP disclosed
US-4104402-A BRONCHODILATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-08-01 US disclosed
US-4035512-A Aminotetralols TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-07-12 US disclosed
US-4010202-A TREATMENT OF ASTHMA AND ARRHYTHMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-01 US disclosed