SCHEMBL5616308

SCHEMBL5616308

CCCCC(c1ccc(Cl)c(Cl)c1O)c1nccn1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 3/20 0.32
TLR8 Q9NR97 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL5615786 0.85 KDM4E (0.41) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL5615878 0.82 L3MBTL1 (0.38) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL4060494 0.74 KDM4E (0.44) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL5616306 0.71 ALDH1A1 (0.40) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL5616114 0.68 L3MBTL1 (0.41) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL19582677 0.67 L3MBTL1 (0.40) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL28702194 0.67 TLR8 (0.41) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL20372906 0.67 TLR8 (0.41) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL5599568 0.66 KDM4E (0.50) L3MBTL1KDM4EMAPTCYP2D6KMT2A
SCHEMBL5600154 0.66 ALDH1A1 (0.48) ALDH1A1POLBKMT2ATLR8

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-1746986-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP claimed
WO-2005097099-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO claimed