SCHEMBL8773563

SCHEMBL8773563

C#COc1ccccc1OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.46
RXRB P28702 3/20 0.46
RXRG P48443 2/20 0.46
PTPRC P08575 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPRB P23467 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
APP P05067 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.44
NR4A2 P43354 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8773537 0.85 PTPN1 (0.52) RXRARXRBRXRGPTPRCPTPN2
SCHEMBL8773573 0.83 HTR1A (0.48) RXRARXRBRXRGAPPL3MBTL1
SCHEMBL8773558 0.78 APP (0.64) RXRARXRBPTPRCPTPN2PTPN1
SCHEMBL12301141 0.78 RXRA (0.58) RXRARXRBRXRGPTPRCPTPN2
SCHEMBL6001907 0.74 PTPRC (0.50) RXRARXRBRXRGPTPRCPTPN2
SCHEMBL18161387 0.74 MAPT (0.58) APPL3MBTL1RAB9ANR4A2NR4A1
SCHEMBL8684017 0.73 ALDH1A1 (0.54) RXRARXRBRXRGPTPRCPTPN2
SCHEMBL28281402 0.72 APP (0.60) RXRARXRBRXRGAPPL3MBTL1
SCHEMBL21184545 0.72 CHRM3 (0.48) RXRARXRBPTPRCPTPN2PTPN1
SCHEMBL21184464 0.72 CHRM3 (0.48) RXRARXRBPTPRCPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577555-B1 Derivatives of carboxylic acids CIBA GEIGY AG (CH) 1997-11-05 EP claimed