SCHEMBL9004804

SCHEMBL9004804

COC(OC)C(=O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.54
ALDH1A1 P00352 8/20 0.50
LMNA P02545 3/20 0.50
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 3/20 0.45
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 2/20 0.45
HPGD P15428 1/20 0.45
NLRP1 Q9C000 1/20 0.45
GAA P10253 1/20 0.45
NTSR1 P30989 1/20 0.45
SRD5A2 P31213 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 2/20 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
SCHEMBL11361276 0.91 ALDH1A1 (0.42) TDP1ALDH1A1LMNACES2CES1
SCHEMBL11375890 0.91 MMP13 (0.54) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10942793 0.84 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ANPSR1
SCHEMBL934887 0.83 CA1 (0.54) TDP1ALDH1A1LMNACES2PKM
SCHEMBL28835358 0.81 GSK3B (0.60) TDP1ALDH1A1LMNACES2CES1
SCHEMBL9066574 0.81 CES2 (0.59) ALDH1A1LMNACES2CES1MEN1
SCHEMBL10579201 0.81 HPGD (0.50) ALDH1A1LMNACES2CES1HTT
SCHEMBL11360236 0.81 HPGD (0.54) ALDH1A1CES2CES1KMT2ASMN1; SMN2
SCHEMBL995569 0.81 CA1 (0.57) TDP1ALDH1A1MEN1KMT2AGAA
SCHEMBL16513077 0.81 MEN1 (0.60) TDP1ALDH1A1LMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110963907-B Green synthesis of 2, 2-dialkoxy acetophenone derivative 中国农业科学院植物保护研究所 2023-12-19 CN disclosed
CN-110963907-A Green synthesis of 2, 2-dialkoxyacetophenone derivative 中国农业科学院植物保护研究所 2020-04-07 CN disclosed
US-5510539-A LIQUID KETALS; LONG DARK STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-04-23 US disclosed
EP-0401166-B1 Nitrogen-containing titanocenes and their use CIBA GEIGY AG (CH) 1995-02-22 EP disclosed
EP-0401165-B1 New oxygen-containing titanocenes and their use CIBA GEIGY AG (CH) 1994-11-30 EP disclosed
US-5306600-A Oxygen-containing titanocenes, and the use thereof CIBA-GEIGY CORPORATION (US) 1994-04-26 US disclosed
US-5288917-A Benzil ketals; end-capped polyoxyyethylene glycol; mixed with titanocene-type initiators CIBA-GEIGY CORPORATION (US) 1994-02-22 US disclosed
EP-0318894-B1 Titanocenes, their use and N-substituted pyrroles CIBA GEIGY AG (CH) 1994-02-16 EP disclosed
EP-0318893-B1 Titanocenes, their use and N-substituted fluoroanilines CIBA GEIGY AG (CH) 1994-01-19 EP disclosed
EP-0255486-B1 TITANOCENES AND THEIR USE CIBA-GEIGY AG (CH) 1993-06-16 EP disclosed
US-4857654-A Titanocenes and their use CIBA-GEIGY CORPORATION (US) 1989-08-15 US disclosed
EP-0318893-A2 Titanocenes, their use and N-substituted fluoroanilines CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
EP-0318894-A2 Titanocenes, their use and N-substituted pyrroles CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 US disclosed
EP-0256981-A2 Titanocenes and their use CIBA-GEIGY AG (CH) 1988-02-24 EP disclosed
EP-0242330-A1 Liquid blend of photoinitiators CIBA-GEIGY AG (CH) 1987-10-21 EP disclosed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 US disclosed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 EP disclosed
CN-86102736-A The preparation method and the application thereof of 6-(1-acyl group-1-methylol) penicillanic acid derivative 1986-10-15 CN disclosed
US-4251341-A DIALKOXY-ACETYL DERIVATIVES OF AROMATIC COMPOUNDS CIBA-GEIGY CORPORATION (US) 1981-02-17 US disclosed