SCHEMBL22986535

SCHEMBL22986535

CC(C)(F)CC(=O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ATM Q13315 2/20 0.45
CYP19A1 P11511 1/20 0.45
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
HPGD P15428 1/20 0.41
MC4R P32245 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAOB P27338 1/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40

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
SCHEMBL3435224 0.89 ELANE (0.45) ELANEL3MBTL1ATMCYP19A1KMT2A
SCHEMBL364109 0.85 CYP19A1 (0.47) ELANEL3MBTL1ATMCYP19A1KMT2A
SCHEMBL2448081 0.85 L3MBTL1 (0.47) ELANEL3MBTL1ATMCYP19A1KMT2A
SCHEMBL29007503 0.83 CYP19A1 (0.46) ELANEL3MBTL1ATMCYP19A1KMT2A
SCHEMBL29007510 0.81 CYP19A1 (0.45) ELANEL3MBTL1ATMCYP19A1KMT2A
SCHEMBL29007508 0.81 CYP19A1 (0.45) ELANEL3MBTL1ATMCYP19A1KMT2A
SCHEMBL27755288 0.80 CYP2C19 (0.47) ELANEL3MBTL1ATMCYP19A1KMT2A
SCHEMBL28083816 0.80 ELANE (0.47) ELANEL3MBTL1ATMCYP19A1KMT2A
SCHEMBL19428600 0.80 CYP19A1 (0.44) ELANEL3MBTL1ATMCYP19A1KMT2A
SCHEMBL9427528 0.80 CYP2C19 (0.47) ELANEL3MBTL1ATMCYP19A1KMT2A

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
EP-3780231-A1 ELECTROLYTE, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY BATTERY, AND MODULE DAIKIN INDUSTRIES, LTD. (JP) 2021-02-17 EP disclosed