SCHEMBL14503263

SCHEMBL14503263

O=C(NC1CCCCC1)C12CC3CC(C1)CC(C(=O)NC1CCCCC1)(C3)C2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.79
CYP3A4 P08684 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
EPHX1 P07099 10/20 0.51
EPHX2 P34913 3/20 0.51
HPGD P15428 1/20 0.49
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.43
CCR2 P41597 1/20 0.43

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
SCHEMBL7702219 0.89 GAA (0.69) GAACYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL16064908 0.87 GAA (0.66) GAACYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL12218333 0.86 GAA (0.65) GAACYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL16064910 0.83 EPHX1 (0.63) GAACYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL28826584 0.79 EPHX1 (0.67) GAAEPHX1EPHX2SMN1; SMN2KMT2A
SCHEMBL3183223 0.73 EPHX2 (0.60) GAAEPHX1EPHX2SMN1; SMN2KMT2A
SCHEMBL3183232 0.73 EPHX2 (0.60) GAAEPHX1EPHX2SMN1; SMN2KMT2A
SCHEMBL5144107 0.71 EPHX1 (0.61) GAAEPHX1EPHX2SMN1; SMN2KMT2A
SCHEMBL19526412 0.71 EPHX1 (0.51) GAACYP3A4EPHX1EPHX2HPGD
SCHEMBL26928719 0.71 ALDH1A1 (0.55) GAATHRBSMN1; SMN2KMT2AMEN1

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-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 US disclosed
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 US disclosed