SCHEMBL27656301

SCHEMBL27656301

CCCCCCC1(C)C(C(=O)O)=CC=CC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
PLA2G4B P0C869 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
POLA1 P09884 1/20 0.32
RARB P10826 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARG P37231 3/20 0.31

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
SCHEMBL27676198 1.00 PLA2G2A (0.33) PLA2G2ATP53TSHRPLA2G4BMEN1
SCHEMBL27603926 1.00 PLA2G2A (0.33) PLA2G2ATP53TSHRPLA2G4BMEN1
SCHEMBL27541219 1.00 PLA2G2A (0.33) PLA2G2ATP53TSHRPLA2G4BMEN1
SCHEMBL27622750 1.00 PLA2G2A (0.33) PLA2G2ATP53TSHRPLA2G4BMEN1
SCHEMBL27897582 1.00 PLA2G2A (0.33) PLA2G2ATP53TSHRPLA2G4BMEN1
SCHEMBL27416320 0.94
SCHEMBL27915020 0.90
1-Hexanol SCHEMBL27689153 0.85 LMNA (0.33) PLA2G2ATP53TSHRPLA2G4BMEN1
SCHEMBL27288107 0.84
SCHEMBL27727524 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458960-A Iodine (III) -mediated radiofluorination 通用医疗公司 2017-02-22 CN disclosed
CN-102229561-B Method for preparing 2, 2-disubstituted 1, 2-dihydro quinoline derivative UNIV TSINGHUA 2013-04-24 CN disclosed
CN-103012628-A Solid catalyst for olefin polymerization and process for producing olefin polymer SUMITOMO CHEMICAL CO 2013-04-03 CN disclosed
CN-101955837-B Alkyl acetal compound, process for producing the same, and lubricating oil composition IDEMITSU KOSAN CO 2012-10-10 CN disclosed
CN-102229561-A Method for preparing 2, 2-disubstituted 1, 2-dihydro quinoline derivative UNIV TSINGHUA 2011-11-02 CN disclosed
CN-101955837-A Alkyl acetal compound, process for producing the same, and lubricating oil composition IDEMITSU KOSAN CO 2011-01-26 CN disclosed
CN-1922125-B Alkyl acetal compound, process for producing the same, and lubricating oil composition IDEMITSU KOSAN CO 2010-12-01 CN disclosed
CN-1922125-A Alkyl acetal compound, process for producing the same, and lubricating oil composition IDEMITSU KOSAN CO (JP) 2007-02-28 CN disclosed