SCHEMBL7721933

SCHEMBL7721933

CC(C)(C)NC(=O)c1c(C(=O)O)c(C(=O)O)c2ccccc2c1C(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
CYP2C9 P11712 1/20 0.42
EPHX1 P07099 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
GLA P06280 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
IMPDH2 P12268 1/20 0.40
EGFR P00533 1/20 0.40
NPY1R P25929 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 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
SCHEMBL2238425 0.78 HDAC8 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL54422 0.77 KDM4E (0.58) MEN1KMT2AALDH1A1KDM4EGLA
SCHEMBL11409499 0.77 KDM4E (0.42) MEN1KMT2AALDH1A1KDM4EGLA
SCHEMBL28383554 0.74 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EGLA
SCHEMBL31441237 0.74 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EGLA
SCHEMBL31386574 0.74 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EGLA
SCHEMBL16616351 0.74 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EGLA
Hydrochloric Acid SCHEMBL16014117 0.74 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EGLA
SCHEMBL5471425 0.74 KDM4E (0.44) MEN1KMT2AALDH1A1KDM4EGLA
SCHEMBL5231005 0.73 TAS1R3 (0.53) MEN1KMT2AALDH1A1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395440-B1 CHARGE TRANSFER COMPOUND; CHARGE GENERATING COMPOUND FUJI XEROX CO., LTD. (JP) 2002-05-28 US disclosed