SCHEMBL14032363

SCHEMBL14032363

CCCCCCCCCCCCCC(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.68
▸ KCNH2 Q12809 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MGLL Q99685 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ BCL9 O00512 1/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ HDAC3 O15379 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL8934567 0.87 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL16995172 0.87 ALDH1A1 (0.59) ALDH1A1KCNH2KMT2AMEN1MGLL
SCHEMBL1312170 0.84 KCNH2 (0.60) ALDH1A1KCNH2KMT2AMEN1MGLL
SCHEMBL9644637 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL2725127 0.81 ALDH1A1 (0.49) ALDH1A1KCNH2KMT2AMEN1MAPT
SCHEMBL12665073 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTCYP2C19
SCHEMBL16346780 0.81 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MGLLMAPT
Dodecanoate SCHEMBL27633293 0.81 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MGLLMAPT
SCHEMBL12179295 0.80 CYP2C19 (0.54) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6932662 0.80 CYP2C19 (0.61) ALDH1A1KMT2AMEN1MAPTCYP2C19

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-20080248513-A1 Methods for detection of lysosomal storage disease GENZYME CORPORATION 2008-10-09 — — US disclosed
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