SCHEMBL14129489

SCHEMBL14129489

COc1cc(COC(=O)NCCC[Si](OC)(OC)OC)c([N+](=O)[O-])cc1OC[Rf]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
CYP2D6 P10635 1/20 0.36
CTSD P07339 1/20 0.36

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
SCHEMBL18295402 0.93 CYP3A4 (0.47) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL14129379 0.89 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL18294090 0.86 CYP3A4 (0.40) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL14129623 0.85 CYP3A4 (0.39) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL14129356 0.85 NPC1 (0.40) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL19450633 0.83 CYP3A4 (0.46) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL14129629 0.83 KMT2A (0.43) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL14129486 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL14129534 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL10400219 0.80 MGLL (0.50) ALDH1A1MEN1KMT2ACYP3A4CYP2C19

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-7393515-B2 Fluorinated compound, water repellent composition and thin film ASAHI GLASS COMPANY, LIMITED (JP) 2008-07-01 US disclosed