SCHEMBL9364403

SCHEMBL9364403

CCCCCCOC(=O)C(=CC(N)=O)c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TSHR P16473 5/20 0.52
LMNA P02545 4/20 0.52
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 3/20 0.48
HDAC6 Q9UBN7 2/20 0.48
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.44

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
SCHEMBL9364399 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNACYP3A4HSD17B10
SCHEMBL9360085 0.85 GAA (0.48) ALDH1A1TSHRLMNACYP3A4HSD17B10
SCHEMBL9360083 0.85 GAA (0.48) ALDH1A1TSHRLMNACYP3A4HSD17B10
SCHEMBL9359888 0.83 LMNA (0.49) ALDH1A1TSHRLMNACYP3A4HSD17B10
SCHEMBL9359884 0.83 LMNA (0.49) ALDH1A1TSHRLMNACYP3A4HSD17B10
SCHEMBL9360657 0.82 ALDH1A1 (0.46) ALDH1A1TSHRLMNACYP3A4HSD17B10
SCHEMBL9360086 0.80 ALDH1A1 (0.48) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL9360090 0.80 ALDH1A1 (0.48) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL27585866 0.78 ALDH1A1 (0.59) ALDH1A1TSHRLMNACYP3A4HSD17B10
Water SCHEMBL27487586 0.77 TSHR (0.59) ALDH1A1TSHRLMNACYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393713-B1 Process for the preparation of N-substituted maleimides TOSOH CORP (JP) 1994-06-29 EP disclosed
US-5087705-A Heating N-substituted maleamic acid monoester in presence of acid catalyst SHIN-DAIKYOWA PETROCHEMICAL CO., LTD. (JP) 1992-02-11 US disclosed