SCHEMBL4222999

SCHEMBL4222999

CC[C](C)CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
KEAP1 Q14145 1/20 0.52
FFAR1 O14842 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 2/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL7441543 0.88 ALDH1A1 (0.67) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL11795778 0.87 HDAC1 (0.55) ALDH1A1TDP1HDAC2HDAC8HDAC6
SCHEMBL9427256 0.84 ALDH1A1 (0.57) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL7371966 0.82 ALDH1A1 (0.59) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL9131936 0.81 ALDH1A1 (0.53) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL9129686 0.79 HPGD (0.54) ALDH1A1KEAP1KMT2AHDAC3HPGD
SCHEMBL9427231 0.79 ALDH1A1 (0.56) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL10530175 0.78 ALDH1A1 (0.67) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL16274 0.78 ALDH1A1 (0.67) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL9524030 0.78 CETP (0.54) ALDH1A1KMT2AHDAC3HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO 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-0977548-B2 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2008-03-26 EP disclosed
EP-0977830-B1 PERSONAL CARE COMPOSITION COMPRISING ORTHOCARBONATE PRO-FRAGRANCES PROCTER & GAMBLE (US) 2005-12-28 EP disclosed
EP-0977548-B1 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2004-08-18 EP disclosed
US-6677491-B2 FRAGRANCE DELIVERY SYSTEM FOR USE IN LAUNDRY DETERGENT COMPOSITIONS INCLUDING RINSE-ADDED AND DRYER-ADDED FABRIC CONDITIONING COMPOSITIONS WHICH PROVIDES A LONG LASTING ?FRESHNESS? OR ?CLEAN? SCENT TO FABRIC. PROCTER & GAMBLE COMPANY 2004-01-13 US disclosed
US-20030032565-A1 Pro-fragrance linear acetals and ketals SIVIK MARK ROBERT (US) 2003-02-13 US disclosed
EP-0991615-B1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS PROCTER & GAMBLE (US) 2002-08-14 EP disclosed
US-6395695-B1 LAUNDRY DETERGENT THE PROCTER & GAMBLE COMPANY 2002-05-28 US disclosed
WO-1995009833-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed
WO-1995009620-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed
US-5378680-A Dicarboximides and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
EP-0586418-A1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1994-03-16 EP disclosed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
US-5176739-A Plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed
WO-1992020663-A1 SUBSTITUTED TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-26 WO disclosed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP disclosed