SCHEMBL4462491

SCHEMBL4462491

c1ccc(OP(OC2CC2)OC2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.39
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A3 Q01959 4/20 0.37
LTA4H P09960 1/20 0.35
TSHR P16473 1/20 0.35
CA4 P22748 1/20 0.32
HTR1A P08908 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
KCNA3 P22001 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
SCHEMBL4451483 0.92 HRH1 (0.37) HRH1SLC6A4SLC6A2SLC6A3LTA4H
SCHEMBL1726398 0.90 RAB9A (0.38) HRH1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL1726180 0.86 RAB9A (0.38) HRH1SLC6A4SLC6A2SLC6A3ALDH1A1
Carbon Monoxide SCHEMBL11678731 0.84 RAB9A (0.37) HRH1ALDH1A1RAB9A
SCHEMBL6072951 0.76 GAA (0.49) TSHRALDH1A1
SCHEMBL13289 0.75 LTA4H (0.50) LTA4HTSHRCA4TDP1ALDH1A1
Iodide SCHEMBL5553135 0.73 LTA4H (0.47) LTA4HTSHRCA4TDP1ALDH1A1
SCHEMBL16415989 0.73 LTA4H (0.47) LTA4HTSHRCA4TDP1ALDH1A1
SCHEMBL11679017 0.73 LTA4H (0.47) LTA4HTSHRCA4TDP1ALDH1A1
SCHEMBL3009883 0.73 LTA4H (0.47) LTA4HTSHRCA4TDP1ALDH1A1

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