SCHEMBL6744611

SCHEMBL6744611

C/C(=C\C12CC3CC(CC(C3)C1O)C2)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
EPHX1 P07099 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GLA P06280 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
SCHEMBL14801409 1.00 THRB (0.33) THRBCYP2C9NPC1MAPTEPHX1
SCHEMBL2832305 0.83 THRB (0.33) THRBCYP2C9MAPTEPHX1GLA
SCHEMBL701492 0.83 THRB (0.33) THRBCYP2C9MAPTEPHX1GLA
SCHEMBL6559871 0.81 THRB (0.32) THRBCYP2C9
SCHEMBL1482224 0.80 THRB (0.31) THRBCYP2C9
SCHEMBL701564 0.80 THRB (0.31) THRBCYP2C9
SCHEMBL701560 0.80 SMN1; SMN2 (0.31) THRBCYP2C9NPC1EPHX1
SCHEMBL15124964 0.78
SCHEMBL701766 0.77 EPHX2 (0.31)
SCHEMBL14798101 0.76 THRB (0.32) THRBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248039-A1 Photoresist compositions and processes for preparing the same E. I. DU PONT DE NEMOURS AND COMPANY 2004-12-09 US disclosed