SCHEMBL4460772

SCHEMBL4460772

CCCc1ccccc1P(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
LTA4H P09960 3/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
RIPK1 Q13546 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
PPARD Q03181 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL4452055 0.90 LTA4H (0.40) PPARALTA4HHRH1ADRA2AADRA2B
SCHEMBL1726433 0.85 GABRA1 (0.34) LTA4HHPGDRIPK1SLC6A2SLC6A4
SCHEMBL4451093 0.79 ADRA2A (0.34) PPARAPPARGSMN1; SMN2ADRA2AADRA2B
SCHEMBL4455343 0.78 CYP4F2 (0.34) PPARAPPARGSMN1; SMN2ADRA2AADRA2B
SCHEMBL4454143 0.76 ADRA2B (0.33) PPARAPPARGADRA2AADRA2BADRA2C
SCHEMBL446440 0.75 HRH1 (0.43) HRH1ADRA2AADRA2BADRA2CRIPK1
SCHEMBL4452080 0.75 TSHR (0.38) LTA4HCA4
SCHEMBL5988509 0.74 DAO (0.36) PPARAPPARGHPGDADRA2AADRA2B
SCHEMBL4450146 0.74 LTA4H (0.37) LTA4HPPARD
SCHEMBL4456095 0.72 ADRA2A (0.33) ADRA2AADRA2BADRA2C

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