SCHEMBL4451483

SCHEMBL4451483

c1ccc(OP(OC2CCC2)OC2CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.37
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
LTA4H P09960 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
VCP P55072 1/20 0.31
METAP2 P50579 2/20 0.30
METAP1 P53582 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL1726398 0.94 RAB9A (0.38) HRH1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL4462491 0.92 HRH1 (0.39) HRH1SLC6A4SLC6A2SLC6A3LTA4H
SCHEMBL1726180 0.90 RAB9A (0.38) HRH1SLC6A4SLC6A2SLC6A3ALDH1A1
Carbon Monoxide SCHEMBL11678731 0.88 RAB9A (0.37) HRH1ALDH1A1RAB9AVCPMETAP2
SCHEMBL6289922 0.77 RAB9A (0.33) ALDH1A1RAB9AVCP
SCHEMBL2150833 0.76 ALDH1A1 (0.39) HRH1ALDH1A1RAB9AMETAP2METAP1
SCHEMBL6072951 0.73 GAA (0.49) TSHRALDH1A1
SCHEMBL13289 0.72 LTA4H (0.50) LTA4HTSHRALDH1A1
SCHEMBL796490 0.72 HRH1 (0.65) HRH1SLC6A4SLC6A2SLC6A3CHRNB4
SCHEMBL4454309 0.71 CYP3A4 (0.35) HRH1

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