SCHEMBL7874115

SCHEMBL7874115

CCCCOP(=O)(O)OCC(CC)CCCC.[Fe]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TSHR P16473 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
P2RY10 O00398 5/20 0.41
GPR34 Q9UPC5 2/20 0.41
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CA2 P00918 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
FABP3 P05413 1/20 0.39

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
SCHEMBL12079357 0.98 CYP3A4 (0.64) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL1505838 0.98 CYP3A4 (0.64) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL7195330 0.97 CYP3A4 (0.62) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL672245 0.97 CYP3A4 (0.62) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL153815 0.97 CYP3A4 (0.62) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL3327231 0.97 CYP3A4 (0.62) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL11775431 0.94 CYP3A4 (0.62) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL3959360 0.93 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL27986177 0.93 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL24208156 0.92 CYP3A4 (0.60) CYP3A4L3MBTL1TSHRATMTDP1

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-10035908-B1 Process for preparing blends of trans-1,4-polybutadiene and syndiotactic 1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2018-07-31 US disclosed
US-6320004-B1 FORMED BY COMBINING (A) A IRON-CONTAINING COMPOUND; (B) AN ORGANOMAGNESIUM COMPOUND; AND (C) A SILYL PHOSPHONATE; POLYMERIZING CONJUGATED DIENE MONOMERS BRIDGESTONE CORPORATION (JP) 2001-11-20 US disclosed