SCHEMBL9879385

SCHEMBL9879385

CCC(O)(Nc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
HDAC1 Q13547 1/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TAS2R38 P59533 1/20 0.38
ALOX12 P18054 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDK1 Q15118 2/20 0.37
PDK2 Q15119 2/20 0.37
PDK3 Q15120 2/20 0.37
PDK4 Q16654 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL975058 0.79 KCNN4 (0.48) KCNN4HDAC1KMT2AL3MBTL1CYP2C19
SCHEMBL30553574 0.79 KCNN4 (0.48) KCNN4HDAC1KMT2AL3MBTL1CYP2C19
SCHEMBL30553493 0.79 KCNN4 (0.48) KCNN4HDAC1KMT2AL3MBTL1CYP2C19
Hydrochloric Acid SCHEMBL3830549 0.78 KCNN4 (0.46) KCNN4HDAC1KMT2AMAPTL3MBTL1
SCHEMBL9399546 0.77 GAA (0.41) GAAKMT2AMAPTCYP2C19TAS2R38
SCHEMBL2640783 0.75 GAA (0.41) GAAKMT2AMAPTCYP2C19TAS2R38
SCHEMBL10535008 0.74 KDM4E (0.42) KCNN4KMT2AMAPTL3MBTL1CYP2C19
SCHEMBL28685723 0.73 NAPRT (0.44) KCNN4HDAC1KMT2AMAPTL3MBTL1
SCHEMBL29393902 0.73 NAPRT (0.44) KCNN4HDAC1KMT2AMAPTL3MBTL1
SCHEMBL14916526 0.72 ALDH1A1 (0.41) KCNN4HDAC1KMT2AMAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4387210-A Process for producing aromatic polyester amide MITSUI TOATSU CHEMICAL, INC. (JP) 1983-06-07 US claimed
JP-3195731-A None JP disclosed
EP-4085078-A1 LIGHT AND REDOX CURABLE COMPOSITIONS 3M Innovative Properties Company (US) 2022-11-09 EP disclosed
JP-H03195731-A NEW POLYAMIDEIMIDE HITACHI CHEM CO LTD 1991-08-27 JP disclosed
US-4387210-A Process for producing aromatic polyester amide MITSUI TOATSU CHEMICAL, INC. (JP) 1983-06-07 US disclosed