SCHEMBL7991836

SCHEMBL7991836

COc1ccc(-c2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.58
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
GFER P55789 1/20 0.56
PRMT5 O14744 11/20 0.53
TP53 P04637 2/20 0.53
CHEK2 O96017 1/20 0.53
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7989975 0.91 DHODH (0.61) DHODHMEN1KMT2AKDM4EALDH1A1
SCHEMBL7977709 0.89 DHODH (0.58) DHODHMEN1KMT2APRMT5CHEK2
SCHEMBL7977622 0.89 DHODH (0.58) DHODHMEN1KMT2APRMT5CHEK2
SCHEMBL7977737 0.88 PRMT5 (0.57) DHODHMAPTMEN1KMT2AKDM4E
SCHEMBL7989535 0.82 MAPK1 (0.61) DHODHMAPTMEN1KMT2AKDM4E
SCHEMBL15075613 0.81 MAPK13 (0.63) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7995495 0.81 MAPK13 (0.63) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7988588 0.81 PRMT5 (0.58) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL6681257 0.80 PRMT5 (0.53) DHODHMAPTMEN1KMT2AKDM4E
SCHEMBL7977899 0.79 PRMT5 (0.56) DHODHMAPTMEN1KMT2AALDH1A1

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed