Trimethylammonium

Trimethylammonium

SCHEMBL7978797

CN(C)C.O=C(OCc1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.66
CYP19A1 P11511 2/20 0.66
RECQL P46063 1/20 0.56
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49
EPHX2 P34913 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD11B1 P28845 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 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
SCHEMBL1733254 0.94 CYP17A1 (0.73) CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2
SCHEMBL31613300 0.88 CYP17A1 (0.63) CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2
SCHEMBL31538453 0.86 CYP17A1 (0.66) CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2
SCHEMBL18007743 0.83 CYP17A1 (0.59) CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2
SCHEMBL20620855 0.82 CYP17A1 (0.60) CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2
SCHEMBL13148547 0.82 CYP17A1 (0.61) CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2
SCHEMBL18007735 0.81 CYP17A1 (0.56) CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2
SCHEMBL22070864 0.81 CYP17A1 (0.56) CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2
SCHEMBL18007750 0.80 CYP17A1 (0.55) CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2
SCHEMBL22070598 0.80 CYP17A1 (0.55) CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2

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-6280900-B1 RADIATION SENSITIVE COMPOSITION WITH ALKALINE DEVELOPER SOLUBLE IN POLYMER COATED ON SUBSTRATE JSR CORPORATION (JP) 2001-08-28 US disclosed