SCHEMBL4650286

SCHEMBL4650286

CC(C)(c1ccc(CC2CS2)cc1)c1ccc(CC2CS2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
HPGD P15428 3/20 0.37
CYP3A4 P08684 2/20 0.37
AR P10275 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
ESRRG P62508 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL4644559 0.82 MMP2 (0.33) MAPT
SCHEMBL4649028 0.77 HPGD (0.38) TSHRESR1ESR2HPGDCYP3A4
SCHEMBL4647065 0.77 HPGD (0.32) TSHRESR1ESR2HPGDCYP3A4
SCHEMBL7945997 0.73 LTA4H (0.31) ALDH1A1
SCHEMBL1252489 0.72 TSHR (0.56) TSHRESR1ESR2HPGDCYP3A4
SCHEMBL1402611 0.72 ALDH1A1 (0.34) TSHRESR1ESR2HPGDCYP3A4
SCHEMBL1402906 0.72 KMT2A (0.60) TSHRHPGDARTP53MAPT
SCHEMBL637047 0.68 ESR1 (0.41) TSHRESR1ESR2HPGDCYP3A4
SCHEMBL2733521 0.67 PSMB1 (0.47) TSHRHPGDTP53MAPTMEN1
SCHEMBL11525523 0.67 KMT2A (0.39) TSHRESR1ESR2HPGDCYP3A4

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
US-20080206668-A1 NEGATIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-08-28 US disclosed
EP-1962139-A1 Negative resist composition and pattern forming method using the same FUJIFILM Corporation (JP) 2008-08-27 EP disclosed