SCHEMBL8475829

SCHEMBL8475829

CN(C)CCOc1ccc(C(c2ccccc2)c2c(C(=O)O)n(CCN(C)C)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LTA4H P09960 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL8472891 0.90 EGFR (0.45) LTA4HMAPT
SCHEMBL8476671 0.90 KMT2A (0.47) PLA2G2AKDM4EPOLBALDH1A1MEN1
SCHEMBL8475096 0.90 KDM4E (0.39) KDM4EPOLBALDH1A1LTA4HPPARG
SCHEMBL8477366 0.89 ALDH1A1 (0.47) PLA2G2AKDM4EPOLBALDH1A1MAPT
SCHEMBL7612724 0.89 ALDH1A1 (0.39) PLA2G2AKDM4EPOLBALDH1A1KMT2A
SCHEMBL8476437 0.87 KDM4E (0.39) PLA2G2AKDM4EPOLBALDH1A1PPARG
SCHEMBL8478179 0.85 HTR6 (0.44) PLA2G2AKDM4EPOLBALDH1A1MEN1
SCHEMBL8472303 0.84 POLB (0.43) PLA2G2AKDM4EPOLBALDH1A1MEN1
SCHEMBL8471927 0.84 UTS2R (0.45) PLA2G2AKDM4EPOLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL8477102 0.84 SMN1; SMN2 (0.40) KDM4EALDH1A1KMT2APPARGLMNA

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
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed