SCHEMBL4458047

SCHEMBL4458047

CCCc1cccc(OP(=O)(O)CCC)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CETP P11597 4/20 0.35
HTR2A P28223 3/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HTR1A P08908 1/20 0.34
INPPL1 O15357 1/20 0.34
INPP5B P32019 1/20 0.34
INPP5A Q14642 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
ELANE P08246 1/20 0.33
PPARA Q07869 1/20 0.33
PPARD Q03181 1/20 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
SCHEMBL4453741 0.92 LTB4R (0.44) LTB4RLTB4R2CETPHTR2AHTR2C
SCHEMBL4446405 0.90 LTB4R (0.41) LTB4RLTB4R2CCNT1CDK9HTR2A
SCHEMBL4448711 0.89 ALOX5 (0.41) LTB4RLTB4R2CCNT1CDK9CETP
SCHEMBL4449947 0.88 LTB4R (0.37) LTB4RLTB4R2CETPHTR2AHTR2C
SCHEMBL30523469 0.86 INPPL1 (0.49) LTB4RLTB4R2HTR2AHTR2CHTR2B
SCHEMBL5959297 0.86 INPPL1 (0.49) LTB4RLTB4R2HTR2AHTR2CHTR2B
SCHEMBL4454583 0.86 LTB4R (0.41) LTB4RLTB4R2CETPPPARAPPARD
SCHEMBL4460758 0.85 LTB4R (0.42) LTB4RLTB4R2HTR2AHTR2CHTR2B
SCHEMBL4462593 0.85 CETP (0.37) CCNT1CDK9CETPHTR2AHTR2C
SCHEMBL4458043 0.85 LTB4R (0.40) LTB4RLTB4R2ALOX5PTGS2ELANE

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