SCHEMBL9767783

SCHEMBL9767783

C=CC(c1ccccc1)C(F)(F)C(=O)[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PTPN1 P18031 1/20 0.33
CYP2D6 P10635 1/20 0.32
SRC P12931 1/20 0.32
GSTO1 P78417 1/20 0.32
TACR1 P25103 1/20 0.32
ACP3 P15309 1/20 0.32
MAPK1 P28482 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL9767582 0.88 LMNA (0.33) LMNAHPGD
SCHEMBL9776466 0.82 HPGD (0.40) LMNACYP2C19HPGDKMT2AMEN1
SCHEMBL9776384 0.76 ALDH1A1 (0.31)
SCHEMBL9776400 0.73 FAAH (0.43) KMT2AMEN1
SCHEMBL10415149 0.72 HTR2A (0.36) LMNACYP2C19SMN1; SMN2ACP3
SCHEMBL9776328 0.70 LMNA (0.37) LMNACYP2C19HPGDKMT2AMEN1
SCHEMBL18083240 0.69 HSP90AA1 (0.37) LMNACYP2C19KMT2AMEN1PTPN1
SCHEMBL27988263 0.69 RIPK1 (0.41) LMNACYP2C19HPGD
SCHEMBL6841869 0.68 RIPK1 (0.39) LMNACYP2C19HPGD
SCHEMBL9196490 0.66 SRC (0.41) LMNACYP2C19HPGDPTPN1SRC

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-5057626-A Difluoroketones from difluoroacylsilanes PFIZER INC. (US) 1991-10-15 US disclosed
US-4996345-A Difluoroketones from difluoroacylsilanes PFIZER INC. (US) 1991-02-26 US disclosed