SCHEMBL6712987

SCHEMBL6712987

COc1c(O)cccc1CC(O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
DRD3 P35462 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
DRD1 P21728 2/20 0.39
LMNA P02545 2/20 0.39
AGTR1 P30556 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL28553709 0.83 AGTR1 (0.50) CA1CA2MAPK1TSHRLMNA
SCHEMBL17748601 0.81 GABRA1 (0.57) CA1CA2MAPK1DRD3SIGMAR1
SCHEMBL1836066 0.78 CA1 (0.48) CA1CA2MAPK1TSHRDRD3
SCHEMBL8068527 0.77 IDO1 (0.53) MAPK1LMNAAGTR1CYP1A2CYP3A4
SCHEMBL565137 0.76 HSPA5 (0.50) CA2MAPK1TSHRCYP3A4KDM4E
SCHEMBL27829507 0.75 DRD3 (0.46) CA1CA2MAPK1TSHRDRD3
SCHEMBL300777 0.74 CA1 (0.53) CA1CA2MAPK1TSHRDRD3
SCHEMBL28091607 0.74 G6PD (0.36) TSHRCYP3A4KDM4EALOX15GABRA1
SCHEMBL7506353 0.74 LMNA (0.59) CA1CA2LMNAAGTR1CYP1A2
SCHEMBL7506347 0.74 LMNA (0.59) CA1CA2LMNAAGTR1CYP1A2

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
CN-119325465-A Biphenyl substituted epithelial sodium channel blocking compounds 帕里昂科学公司 2025-01-17 CN disclosed
US-20040013735-A1 Method for granulation of active substances by low pressure extrusion to obtain directly compressible granules RHODIA CHIMIE (FR) 2004-01-22 US disclosed