SCHEMBL6883754

SCHEMBL6883754

C=C(C)C(=O)c1ccccc1NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
AGTR1 P30556 3/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GLA P06280 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA5 P08648 1/20 0.40
PARP1 P09874 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9405498 0.84 AGTR1 (0.47) RAB9AAGTR1KDM4EPOLBCYP2C19
SCHEMBL690246 0.83 KDM4E (0.53) RAB9AAGTR1KDM4EPOLBCYP2C19
SCHEMBL5707628 0.83 POLB (0.56) RAB9AAGTR1KDM4EPOLBCYP2C19
SCHEMBL10536973 0.81 KDM4E (0.51) RAB9AAGTR1KDM4EPOLBCYP2C19
Ammonia Solution, Strong SCHEMBL10539920 0.81 KDM4E (0.51) RAB9AAGTR1KDM4EPOLBCYP2C19
Methylamine SCHEMBL5383831 0.80 AGTR1 (0.50) RAB9AAGTR1KDM4EPOLBCYP2C19
SCHEMBL3570809 0.80 PTPRC (0.41) RAB9AAGTR1KDM4EPOLBCYP2C19
SCHEMBL29620333 0.79 KDM4E (0.71) RAB9AAGTR1KDM4EPOLBALDH1A1
SCHEMBL341645 0.79 KDM4E (0.71) RAB9AAGTR1KDM4EPOLBALDH1A1
SCHEMBL20274643 0.78 POLB (0.56) RAB9AKDM4EPOLBCYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 US disclosed
EP-0950649-B1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides MITSUI CHEMICALS INC (JP) 2003-03-26 EP disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 US disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed
US-4101672-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1978-07-18 US disclosed