SCHEMBL27877751

SCHEMBL27877751

O=C(OC(F)(F)F)c1cocn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
PLA2G7 Q13093 1/20 0.33
MGLL Q99685 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
F2R P25116 1/20 0.31
RIPK1 Q13546 1/20 0.31
ACACB O00763 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL28204819 0.77 GABRA1 (0.42) SRPK1
SCHEMBL354704 0.75
SCHEMBL6970853 0.75
SCHEMBL27930827 0.73 KMT2A (0.40) SCN9A
SCHEMBL28311384 0.73 PIK3CD (0.35) PIK3CDF2RRIPK1ACACB
Trifluoroacetic Acid SCHEMBL15923058 0.72 ASPH (0.36) PIK3CDPLA2G7MGLLABHD6SRPK1
SCHEMBL3642043 0.70 F2R (0.40) PIK3CDPLA2G7MGLLABHD6SRPK1
SCHEMBL554720 0.70 CYP1A2 (0.50) ACACB
SCHEMBL27754289 0.69 KMT2A (0.44) ACACB
SCHEMBL2170593 0.69

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108064223-A FXR (NR1H4) modulating compound of hydroxyl 吉利德科学公司 2018-05-22 CN disclosed
CN-104395309-A Cyclic bridgehead ether dgat1 inhibitors NOVARTIS AG 2015-03-04 CN disclosed
CN-102781915-A Diacylglycerol acyltransferase inhibitors PIRAMAL LIFE SCIENCES LTD 2012-11-14 CN disclosed