SCHEMBL28520296

SCHEMBL28520296

CCC(C)(C(=O)O)N(CCc1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RIPK1 Q13546 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AOC3 Q16853 2/20 0.39
CES1 P23141 4/20 0.38
FAAH O00519 3/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL5409509 0.77 TAAR1 (0.52) MLYCDMEN1KMT2ANR1H2NR1H3
Iodide SCHEMBL31550892 0.75 TAAR1 (0.50) MLYCDMEN1KMT2ANR1H2NR1H3
Bromide SCHEMBL29093974 0.75 TAAR1 (0.50) MLYCDMEN1KMT2ANR1H2NR1H3
Hydrochloric Acid SCHEMBL5408807 0.75 TAAR1 (0.50) MLYCDMEN1KMT2ANR1H2NR1H3
SCHEMBL7452861 0.72 KMT2A (0.54) MLYCDMEN1KMT2ARIPK1NPC1
SCHEMBL21275386 0.71 MLYCD (0.47) MLYCDMEN1KMT2ARIPK1KDM4E
SCHEMBL28255755 0.68 KMT2A (0.50) MLYCDMEN1KMT2ALMNANPC1
SCHEMBL7319050 0.68 ALDH1A1 (0.44) MLYCDRIPK1CES1FAAHALDH1A1
SCHEMBL29046383 0.68 RIPK1 (0.71) MLYCDKMT2ARIPK1NPC1RAB9A
SCHEMBL2479873 0.67 LMNA (0.59) MEN1KMT2ALMNANPC1RAB9A

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
CN-112218857-A P300/CBP HAT inhibitors and methods of use thereof 星座制药公司 2021-01-12 CN disclosed