SCHEMBL1551156

SCHEMBL1551156

C[CH]CC(C)(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 1/20 0.38
KCNN4 O15554 4/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 3/20 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
SCHEMBL10382468 0.82 TAAR1 (0.50) TAAR1MAPK1MAPTKMT2ACYP2C19
SCHEMBL6442351 0.82 TAAR1 (0.50) TAAR1MAPK1MAPTKMT2ACYP2C19
SCHEMBL10606675 0.82 TAAR1 (0.50) TAAR1MAPK1MAPTKMT2ACYP2C19
SCHEMBL1501852 0.79 TAAR1 (0.52) TAAR1MAPK1MAPTKMT2ACYP2C19
SCHEMBL1125158 0.79 TAAR1 (0.52) TAAR1MAPK1MAPTKMT2ACYP2C19
SCHEMBL18886107 0.79 TAAR1 (0.52) TAAR1MAPK1MAPTKMT2ACYP2C19
SCHEMBL9450311 0.78 KIF11 (0.41) TAAR1MAPK1MAPTKMT2AALDH1A1
SCHEMBL6037086 0.77 TAAR1 (0.50) TAAR1MAPK1MAPTKMT2ACYP2C19
SCHEMBL10520329 0.74 TAAR1 (0.47) TAAR1KMT2ACYP2C19
SCHEMBL10520320 0.74 TAAR1 (0.47) TAAR1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197507-A1 MALODOR REDUCTION COMPOSITIONS The Procter and Gamble Company (US) 2017-08-02 EP claimed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP claimed
EP-0586418-A1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1994-03-16 EP claimed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
WO-1992020663-A1 SUBSTITUTED TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-26 WO claimed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP claimed
EP-3365418-A2 PARTICLES FOR MALODOR REDUCTION The Procter and Gamble Company (US) 2018-08-29 EP disclosed
EP-3197424-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
EP-3197422-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS The Procter & Gamble Company (US) 2017-08-02 EP disclosed
EP-3197511-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
EP-3197423-A1 PRODUCTS COMPRISING MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
EP-3197426-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP disclosed
US-4435324-A Process for the preparation of 1-alkylaminoanthraquinones BAYER AKTIENGESELLSCHAFT (DE) 1984-03-06 US disclosed
EP-0063298-B1 PROCESS FOR THE PREPARATION OF 1-ALKYLAMINO ANTHRAQUINONES BAYER AG (DE) 1984-02-22 EP disclosed
US-4056544-A Anthraquinone compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4041053-A DYES OR INTERMEDIATES THEREFOR BAYER AKTIENGESELLSCHAFT (DT) 1977-08-09 US disclosed
US-4001306-A INHIBITION OF PLATELET AGGREGATION; NASAL PATENCY, LABOR INDUCEMENT, CONTROLLING BLOOD PRESSURE THE UPJOHN COMPANY (US) 1977-01-04 US disclosed
US-4000167-A DYEING POLYESTER FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed