SCHEMBL7702219

SCHEMBL7702219

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
EPHX1 P07099 9/20 0.61
EPHX2 P34913 2/20 0.59
CCR2 P41597 2/20 0.53
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL16064908 0.98 GAA (0.66) GAAEPHX1EPHX2CCR2CYP3A4
SCHEMBL12218333 0.96 GAA (0.65) GAAEPHX1EPHX2CCR2CYP3A4
SCHEMBL16064910 0.94 EPHX1 (0.63) GAAEPHX1EPHX2CCR2CYP3A4
SCHEMBL28826584 0.90 EPHX1 (0.67) GAAEPHX1EPHX2CCR2KMT2A
SCHEMBL14503263 0.89 GAA (0.79) GAAEPHX1EPHX2CCR2CYP3A4
SCHEMBL3183223 0.83 EPHX2 (0.60) GAAEPHX1EPHX2CCR2KMT2A
SCHEMBL3183232 0.83 EPHX2 (0.60) GAAEPHX1EPHX2CCR2KMT2A
SCHEMBL5144107 0.81 EPHX1 (0.61) GAAEPHX1EPHX2CCR2KMT2A
SCHEMBL1548101 0.79 EPHX1 (0.72) GAAEPHX1EPHX2KMT2ASMN1; SMN2
SCHEMBL19526412 0.78 EPHX1 (0.51) GAAEPHX1EPHX2CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348625-B1 TREATING CORRESPONDING CARBOXYLIC ACID FUNCTIONAL GROUP WITH N,N-DIETHYL-1,1,2,3,3,3-HEXAFLUOROPROPYLAMINE FOLLOWED BY AMMONIA ANDERSON GLORIA LONG (US) 2002-02-19 US claimed
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
US-6348625-B1 TREATING CORRESPONDING CARBOXYLIC ACID FUNCTIONAL GROUP WITH N,N-DIETHYL-1,1,2,3,3,3-HEXAFLUOROPROPYLAMINE FOLLOWED BY AMMONIA ANDERSON GLORIA LONG (US) 2002-02-19 US disclosed