SCHEMBL9073301

SCHEMBL9073301

CCCCCCCC(CCCCC)(COC)COCC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
SMPD1 P17405 3/20 0.32
CES1 P23141 1/20 0.32
GGPS1 O95749 6/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FDPS P14324 8/20 0.31
CES2 O00748 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
SCHEMBL8466416 0.92 TSHR (0.38) TSHRTHRBSMPD1CES1GGPS1
SCHEMBL13517379 0.92 TSHR (0.38) TSHRTHRBSMPD1CES1GGPS1
SCHEMBL13517390 0.92 TSHR (0.38) TSHRTHRBSMPD1CES1GGPS1
SCHEMBL13518005 0.90 TSHR (0.36) TSHRTHRBSMPD1CES1GGPS1
SCHEMBL13517699 0.89 TSHR (0.40) SPHK2SPHK1TSHRTHRBSMPD1
SCHEMBL13517609 0.89 TSHR (0.40) SPHK2SPHK1TSHRTHRBSMPD1
SCHEMBL967960 0.89 TSHR (0.40) SPHK2SPHK1TSHRTHRBSMPD1
SCHEMBL13517509 0.89 TSHR (0.33) TSHRTHRBSMPD1CES1GGPS1
SCHEMBL13518015 0.88 TSHR (0.35) TSHRTHRBSMPD1CES1GGPS1
SCHEMBL13517112 0.87 TSHR (0.38) SPHK2SPHK1TSHRTHRBSMPD1

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
EP-0719800-A1 Catalysts for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 EP claimed
EP-0719800-A1 Catalysts for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 EP disclosed