SCHEMBL9626667

SCHEMBL9626667

C=Cc1ccc(OC(C)C(=O)OC2(C)CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C19 P33261 3/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
ALDH1A3 P47895 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7865852 0.79 MMP2 (0.33) CYP19A1CYP2C19MAPTCYP2C9KMT2A
SCHEMBL9626757 0.75 CYP19A1 (0.45) CYP19A1KDM4ESMN1; SMN2NPSR1GAA
SCHEMBL17247256 0.75 CYP19A1 (0.40) CYP19A1TAS1R3TAS1R1SMN1; SMN2NPSR1
SCHEMBL9627685 0.74 CYP19A1 (0.43) CYP19A1KDM4ESMN1; SMN2NPSR1GAA
SCHEMBL14527796 0.74 CYP19A1 (0.38) CYP19A1TAS1R3TAS1R1SMN1; SMN2NPSR1
SCHEMBL17247246 0.73 THRB (0.38) CYP19A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL9626669 0.73 CYP19A1 (0.43) CYP19A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL14844445 0.73 CYP19A1 (0.39) CYP19A1TAS1R3TAS1R1ALDH1A1
SCHEMBL15356269 0.73 ALDH1A1 (0.39) ALDH1A1HPGDTSHR
SCHEMBL15356277 0.73 ALDH1A1 (0.39) ALDH1A1HPGDTSHR

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
EP-0476865-A1 Resist material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-03-25 EP disclosed