SCHEMBL18896201

SCHEMBL18896201

CCC(=O)NCCCC(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP2 P42575 1/20 0.39

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
SCHEMBL31035979 0.92 MEN1 (0.65) MEN1KMT2ARECQLEPHX1ALDH1A1
SCHEMBL840400 0.87 MEN1 (0.56) MEN1KMT2ARECQLEPHX1ALDH1A1
SCHEMBL7750774 0.81 MEN1 (0.67) MEN1KMT2ARECQLALDH1A1SMN1; SMN2
SCHEMBL17229157 0.79 MEN1 (1.00) MEN1KMT2ARECQLEPHX1ALDH1A1
SCHEMBL10101148 0.79 MEN1 (0.89) MEN1KMT2ARECQLEPHX1ALDH1A1
SCHEMBL3950393 0.79 ALDH1A1 (0.40) MEN1KMT2AEPHX1ALDH1A1POLB
SCHEMBL26066649 0.79 ALDH1A1 (0.40) MEN1KMT2AEPHX1ALDH1A1POLB
SCHEMBL10061687 0.78 KDM4E (0.58) MEN1KMT2AEPHX1ALDH1A1POLB
SCHEMBL5405580 0.78 ALDH1A1 (0.39) MEN1KMT2AEPHX1ALDH1A1POLB
SCHEMBL21078226 0.78 CASP2 (0.57) MEN1KMT2AEPHX1CASP2

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-9663466-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed