SCHEMBL4041624

SCHEMBL4041624

CCCC(O)C(C)c1cc2ccncc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DAO P14920 1/20 0.41
HRH4 Q9H3N8 1/20 0.36
NR3C1 P04150 13/20 0.36
NR3C2 P08235 8/20 0.36
PGR P06401 6/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
MAPT P10636 1/20 0.35
SNCA P37840 1/20 0.35
CYP3A4 P08684 1/20 0.34
MASP2 O00187 1/20 0.33
KDM5A P29375 1/20 0.32

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
SCHEMBL4269626 0.79 DAO (0.50) KDM4ESMN1; SMN2DAOHRH4NR3C1
SCHEMBL4271962 0.77 DAO (0.47) KDM4ESMN1; SMN2DAOHRH4NR3C1
SCHEMBL4271774 0.76 DAO (0.44) KDM4ESMN1; SMN2DAOHRH4NR3C1
SCHEMBL3357467 0.76 DAO (0.49) KDM4ESMN1; SMN2DAOHRH4NR3C1
SCHEMBL29856283 0.76 DAO (0.49) KDM4ESMN1; SMN2DAOHRH4NR3C1
SCHEMBL13656963 0.73 DAO (0.46) KDM4ESMN1; SMN2DAOHRH4NR3C1
Hydrochloric Acid SCHEMBL4271746 0.72 DAO (0.45) KDM4EDAOHRH4NR3C1NR3C2
SCHEMBL23934135 0.71 DAO (0.42) SMN1; SMN2DAOHRH4NR3C1NR3C2
SCHEMBL24645390 0.71 DAO (0.42) KDM4ESMN1; SMN2DAOHRH4NR3C1
SCHEMBL4270694 0.70 SLC6A2 (0.46) DAONR3C1NR3C2PGRMASP2

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-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed