SCHEMBL10446352

SCHEMBL10446352

CCC(C)C(=O)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
PIK3CD O00329 1/20 0.41
F2R P25116 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 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
SCHEMBL28911840 0.85 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ERCC5FEN1
SCHEMBL14720363 0.82 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ERCC5FEN1
SCHEMBL10855336 0.81 SCN3A (0.45) SLC6A2SLC6A4SLC6A3ERCC5FEN1
SCHEMBL20025825 0.81 ALDH1A1 (0.54) KMT2AHPGDMEN1RAB9ASMN1; SMN2
SCHEMBL14285775 0.81 KMT2A (0.42) TSHRKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL14613588 0.81 KMT2A (0.42) TSHRMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL10535966 0.81 KDM4E (0.49) TSHRKMT2AHPGDMEN1SMN1; SMN2
SCHEMBL10852236 0.80 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ERCC5FEN1
SCHEMBL585832 0.79 HPGD (0.47) SLC6A2SLC6A4SLC6A3ERCC5FEN1
SCHEMBL1878466 0.79 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ERCC5FEN1

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-113861752-A Photosensitive ink 惠州市兴顺和电子有限公司 2021-12-31 CN claimed
EP-0362507-A2 Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-04-11 EP claimed
EP-0362507-A2 Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-04-11 EP disclosed