SCHEMBL4448608

SCHEMBL4448608

CCCc1ccccc1OP(=O)(O)C(=O)C=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PPARD Q03181 1/20 0.40
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
SRC P12931 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL4453620 0.92 THRA (0.47) THRATHRBLTB4RLTB4R2
SCHEMBL4451647 0.90 L3MBTL1 (0.41) SRC
SCHEMBL1100623 0.80 INPPL1 (0.48) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL4454749 0.77 NPSR1 (0.44) SRC
SCHEMBL4454130 0.77 THRA (0.37) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL1592156 0.76 PPARD (0.41) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL29784818 0.76 PPARD (0.41) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL22579131 0.74 SRC (0.44) PPARDLTB4RLTB4R2SRC
SCHEMBL11510743 0.73 PPARD (0.40) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL11510691 0.73 PPARD (0.40) THRATHRBPPARDLTB4RLTB4R2

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