SCHEMBL7993233

SCHEMBL7993233

O=C(OC1CC1)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.47
SCN1A P35498 4/20 0.47
SCN2A Q99250 4/20 0.47
SCN3A Q9NY46 4/20 0.47
PTPN2 P17706 2/20 0.46
PTPN1 P18031 2/20 0.46
PTPRF P10586 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SERPINE1 P05121 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 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
SCHEMBL27500253 0.93 KMT2A (0.50) CES2CES1KMT2ALMNAALDH1A1
SCHEMBL7408465 0.89 KMT2A (0.47) CES2CES1KMT2ALMNAALDH1A1
SCHEMBL28239805 0.89 HTR1A (0.50) CES2CES1KMT2ALMNAALDH1A1
SCHEMBL208341 0.86 TSHR (0.53) KMT2ALMNAALDH1A1SCN1ASCN2A
SCHEMBL16552873 0.86 CES2 (0.53) CES2CES1KMT2ALMNAALDH1A1
SCHEMBL16669555 0.84 KMT2A (0.41) CES2CES1KMT2ALMNAALDH1A1
SCHEMBL16669554 0.84 KMT2A (0.41) CES2CES1KMT2ALMNAALDH1A1
SCHEMBL5789103 0.80 HTR3A (0.66) LMNASMN1; SMN2
SCHEMBL5789101 0.80 HTR3A (0.66) LMNASMN1; SMN2
SCHEMBL8551876 0.80 BCHE (0.58) KMT2ASCN1ASCN2ASCN3AL3MBTL1

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-117659882-B High-flame-retardance long-service-life thermoplastic polyolefin waterproof coiled material and preparation method thereof 北京宇阳泽丽防水材料有限责任公司 2024-06-11 CN claimed
CN-117659882-B High-flame-retardance long-service-life thermoplastic polyolefin waterproof coiled material and preparation method thereof 北京宇阳泽丽防水材料有限责任公司 2024-06-11 CN disclosed
CN-117659882-A High-flame-retardance long-service-life thermoplastic polyolefin waterproof coiled material and preparation method thereof 北京宇阳泽丽防水材料有限责任公司 2024-03-08 CN disclosed
CN-107835805-A Substituted benzamides and methods of use thereof 基因泰克公司 2018-03-23 CN disclosed
WO-2016079669-A1 LABELED AMINO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2016-05-26 WO disclosed
EP-2855428-A1 N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN Genentech, Inc. (US) 2015-04-08 EP disclosed
WO-2013177224-A1 N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN GENENTECH, INC. (US) 2013-11-28 WO disclosed
WO-2000021910-A2 1,2-DISUBSTITUTED CYCLOPROPANES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-04-20 WO disclosed