SCHEMBL4662932

SCHEMBL4662932

C=CCc1ccc(OCCCCCCCCCCCCCCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
TP53 P04637 3/20 0.55
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CNR2 P34972 1/20 0.51
LTA4H P09960 2/20 0.50
HPGD P15428 1/20 0.50
PLA2G4B P0C869 2/20 0.49
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48

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
SCHEMBL8072799 0.95 TSHR (0.60) NR5A1TP53TSHRALDH1A1CYP3A4
SCHEMBL8077529 0.87 SMN1; SMN2 (0.60) TP53TSHRALDH1A1CYP3A4ALOX15
SCHEMBL8912396 0.85 SMN1; SMN2 (0.63) TP53TSHRCYP3A4SMN1; SMN2NPC1
SCHEMBL9270936 0.84 NR5A1 (0.58) NR5A1TP53TSHRALDH1A1SMN1; SMN2
SCHEMBL1667493 0.84 NR5A1 (0.58) NR5A1TP53TSHRALDH1A1SMN1; SMN2
SCHEMBL15018829 0.84 NR5A1 (0.58) NR5A1TP53TSHRALDH1A1SMN1; SMN2
SCHEMBL6872219 0.84 NR5A1 (0.58) NR5A1TP53TSHRALDH1A1SMN1; SMN2
SCHEMBL12088447 0.82 NR5A1 (0.55) NR5A1TP53TSHRALDH1A1SMN1; SMN2
Ethylene SCHEMBL28261436 0.81 NR5A1 (0.73) NR5A1TP53TSHRALOX15NPC1
SCHEMBL5473083 0.81 NR5A1 (0.79) NR5A1TP53TSHRALOX15NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694335-A4 OSTEOCLASTOGENESIS INHIBITORS AND USES THEREOF RES DEV FOUNDATION (US) 2008-12-31 EP disclosed
EP-1694335-A2 OSTEOCLASTOGENESIS INHIBITORS AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2006-08-30 EP disclosed
WO-2006046934-A2 OSTEOCLASTOGENESIS INHIBITORS AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2006-05-04 WO disclosed