SCHEMBL10576830

SCHEMBL10576830

CCNC(C)CCCC(C)(C)c1cc(O)c(C(C)(C)CCCC(C)NCC)cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.37
ALOX15 P16050 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ATP2A2 P16615 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATP2A3 Q93084 1/20 0.35
CYP2D6 P10635 2/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
LMNA P02545 2/20 0.31
ADRA2C P18825 2/20 0.31
HTR2A P28223 2/20 0.31
SLC6A4 P31645 2/20 0.31
ADRA1A P35348 2/20 0.31
DRD3 P35462 2/20 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
SCHEMBL10846750 0.89 LMNA (0.44) ADRB2ALOX15TP53LMNACNR1
SCHEMBL11126652 0.86 ADRB2 (0.40) ADRB2ALOX15MAPTKDM4ECYP1A2
SCHEMBL10573786 0.83 ALOX15 (0.38) ALOX15MAPTKDM4ECYP1A2ALDH1A1
SCHEMBL10572010 0.78 MTNR1A (0.38) ALOX15MAPTKDM4ECYP1A2ALDH1A1
SCHEMBL11523747 0.78 ALOX15 (0.39) ALOX15MAPTKDM4ECYP1A2ALDH1A1
SCHEMBL10847864 0.78 LMNA (0.41) ADRB2ALOX15KDM4ETP53LMNA
SCHEMBL10410620 0.76 SHBG (0.43) ADRB2LMNASLC6A4OPRK1SLC6A2
SCHEMBL10569118 0.76 ALDH1A1 (0.40) ALOX15MAPTKDM4ECYP1A2ALDH1A1
SCHEMBL13993627 0.75 KDM4E (0.46) ALOX15MAPTKDM4ECYP1A2ALDH1A1
SCHEMBL10571415 0.75 CNR2 (0.51) ALDH1A1CNR1CNR2MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4835323-A Hydroquinones CIBA-GEIGY AG (CH) 1989-05-30 US disclosed
US-4484000-A PHOTOGRAPHIC STABILIZERS CIBA-GEIGY AG (CH) 1984-11-20 US disclosed
EP-0069068-B1 HYDROQUINONES AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1984-10-10 EP disclosed
EP-0069068-A1 Hydroquinones and their preparation CIBA-GEIGY AG (CH) 1983-01-05 EP disclosed