SCHEMBL4458101

SCHEMBL4458101

CCCCOPc1cccc(CCC)c1CCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
PPARD Q03181 1/20 0.32
LTA4H P09960 1/20 0.31
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
PRKCD Q05655 1/20 0.30
PAK1 Q13153 1/20 0.30
CAMK2B Q13554 1/20 0.30
CAMK2G Q13555 1/20 0.30
CAMK2D Q13557 1/20 0.30
TAOK1 Q7L7X3 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4452177 0.91 PTGS2 (0.36) LTB4RLTB4R2ALOX5PTGS2LTA4H
SCHEMBL4458137 0.90 LTB4R (0.33) LTB4RLTB4R2
SCHEMBL4460825 0.85 ELANE (0.32) LTB4RLTB4R2ALDH1A1
SCHEMBL4455062 0.84 ALOX5 (0.36) LTB4RLTB4R2ALOX5PTGS2CYP2C9
SCHEMBL4462062 0.83 TDP1 (0.36) LTA4HMEN1KMT2ATDP1ALDH1A1
SCHEMBL4452341 0.80 ALOX5 (0.33) LTB4RLTB4R2ALOX5PTGS2ALDH1A1
SCHEMBL4452258 0.79 PTGS2 (0.36) LTB4RLTB4R2ALOX5PTGS2CYP2C9
SCHEMBL4461981 0.75 HPGD (0.38) LTB4RLTB4R2LTA4HALDH1A1
SCHEMBL4452174 0.74 PTGS2 (0.41) ALOX5PTGS2CYP2C9CYP3A4
SCHEMBL4451816 0.74 HTR2A (0.30)

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed