SCHEMBL17565210

SCHEMBL17565210

Cc1cc(C)c(OCCO)c(C(c2cc(C)cc(C)c2OCCO)C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.47
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.35
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
HMGCR P04035 1/20 0.33

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
SCHEMBL12113659 0.87 HTR1A (0.49) HTR1AKMT2AMEN1MCL1KDM4E
SCHEMBL17565212 0.81 HTR1A (0.43) HTR1AKMT2AMEN1MCL1KDM4E
SCHEMBL3398525 0.80 HTR1A (0.58) HTR1AKMT2AMEN1KDM4EALDH1A1
SCHEMBL14547492 0.80 ESR1 (0.38) HTR1AKMT2AMEN1MCL1KDM4E
SCHEMBL17565192 0.80 CYP3A4 (0.40) KMT2AMEN1ALDH1A1LMNAS1PR1
SCHEMBL17565204 0.78 HTR1A (0.40) HTR1AKMT2AMEN1MCL1KDM4E
SCHEMBL17565179 0.77 HTR1A (0.41) HTR1AKMT2AMEN1MCL1ALDH1A1
SCHEMBL17565197 0.76 HTR1A (0.40) HTR1AKMT2AMEN1ALDH1A1MAPT
SCHEMBL22333152 0.74 HTR1A (0.49) HTR1AKMT2AMEN1KDM4EALDH1A1
SCHEMBL17549776 0.74 HTR1A (0.39) HTR1AKMT2AMEN1MCL1KDM4E

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
US-20160071992-A1 BACK SHEET FOR SOLAR CELLS AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2016-03-10 US disclosed