SCHEMBL5616045

SCHEMBL5616045

Cn1ccnc1C(c1ccc(Cl)c(Cl)c1O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
CXCR2 P25025 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
CYP2D6 P10635 1/20 0.31
PRKDC P78527 1/20 0.31
P2RX7 Q99572 1/20 0.30
KCNH2 Q12809 1/20 0.30
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30

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
SCHEMBL5611109 0.78 UTS2R (0.34) L3MBTL1
SCHEMBL5616308 0.71 L3MBTL1 (0.39) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL24077426 0.63 KDM4E (0.42) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL25706789 0.63 MBTD1 (0.43) KDM4EALDH1A1MAPTCYP2D6
SCHEMBL25706788 0.63 MBTD1 (0.43) KDM4EALDH1A1MAPTCYP2D6
SCHEMBL25706790 0.63 KDM4E (0.45) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL27735033 0.62
SCHEMBL14737917 0.62
SCHEMBL6649403 0.61 KMT2A (0.39) ALDH1A1LMNAL3MBTL1
SCHEMBL24873414 0.60 KDM4E (0.40) KDM4EALDH1A1LMNAGAAMAPT

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