SCHEMBL13435130

SCHEMBL13435130

CCCCOCCOC(O)CCS

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 2/20 0.37
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
RARB P10826 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL15368947 0.91 LPAR1 (0.36) TSHRHTTMEN1THRBKMT2A
SCHEMBL7531391 0.89 TDP1 (0.41) TDP1
SCHEMBL1026986 0.86 TSHR (0.46) TSHRHTTMEN1THRBKMT2A
SCHEMBL7897635 0.86 TSHR (0.46) TSHRHTTMEN1THRBKMT2A
SCHEMBL5162358 0.82 ALDH1A1 (0.36) TSHRTHRBTDP1
SCHEMBL26437972 0.81 DNM1 (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL5477288 0.80 TSHR (0.48) TSHRHTTMEN1THRBKMT2A
SCHEMBL5598774 0.79 TSHR (0.46) TSHRHTTMEN1THRBKMT2A
SCHEMBL20590292 0.79 TSHR (0.46) TSHRHTTMEN1THRBKMT2A
SCHEMBL28334551 0.79 TSHR (0.52) TSHRHTTMEN1THRBKMT2A

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-20100059709-A1 PATTERNABLE LIQUID CRYSTAL POLYMER COMPRISING THIO-ETHER UNITS ROLIC AG (CH) 2010-03-11 US disclosed