SCHEMBL9875635

SCHEMBL9875635

CCCCCc1ccc2cc(C(C)C)ccc(OCCOCC)c1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.35
HTT P42858 4/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 3/20 0.34
TSHR P16473 1/20 0.34
APAF1 O14727 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GCGR P47871 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
XBP1 P17861 1/20 0.33
RCE1 Q9Y256 1/20 0.33
CNR2 P34972 5/20 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
SCHEMBL9876488 0.90 CNR2 (0.39) CASRHTTMAPTMAPK1MEN1
SCHEMBL9875568 0.85 PTPN11 (0.38) CASRL3MBTL1ALDH1A1CNR2CNR1
SCHEMBL9875198 0.82 HTR2A (0.46) HTR2A
SCHEMBL9875565 0.82 PTPN11 (0.41) CASRTHRBALDH1A1CNR2
SCHEMBL9876459 0.82 HTR2A (0.46) HTR2A
SCHEMBL9876658 0.82 HTR2A (0.46) HTR2A
SCHEMBL9875633 0.80 GCGR (0.32) CASRHTTMAPTTSHRGCGR
SCHEMBL9875981 0.79 HTR2A (0.37) HTTMAPTTSHRL3MBTL1GCGR
SCHEMBL9876460 0.79 HTR2A (0.39) CASRHTR2A
SCHEMBL9876439 0.75 HTR2A (0.47) CASRHTTMAPTTSHRMEN1

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed