SCHEMBL28907353

SCHEMBL28907353

C[SH](C)(C)(C)CC(=O)c1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.63
ALDH1A1 P00352 4/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
PTPN1 P18031 1/20 0.62
KDM4E B2RXH2 2/20 0.62
HPGD P15428 2/20 0.62
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
HDAC1 Q13547 4/20 0.50
HDAC8 Q9BY41 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
EGFR P00533 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL1317943 0.81 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1NPC1RAB9APTPN1
SCHEMBL30623333 0.81 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1NPC1RAB9APTPN1
SCHEMBL8766718 0.81 PTPN1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9APTPN1
SCHEMBL30354087 0.81 PTPN1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9APTPN1
SCHEMBL1974978 0.80 PTPN1 (0.71) SMN1; SMN2ALDH1A1NPC1RAB9APTPN1
SCHEMBL29489791 0.80 PTPN1 (0.71) SMN1; SMN2ALDH1A1NPC1RAB9APTPN1
SCHEMBL30375368 0.79 PTPN1 (0.69) SMN1; SMN2ALDH1A1NPC1RAB9APTPN1
SCHEMBL1448153 0.79 PTPN1 (0.69) SMN1; SMN2ALDH1A1NPC1RAB9APTPN1
SCHEMBL28345275 0.79 PTPN1 (0.69) SMN1; SMN2ALDH1A1NPC1RAB9APTPN1
Beta-Naphtoic Acid SCHEMBL4587376 0.78 CES2 (0.68) SMN1; SMN2ALDH1A1NPC1RAB9APTPN1

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-115443436-A Laminated film for pattern formation, non-photosensitive screen printing plate, and method for producing same 株式会社村上 2022-12-06 CN disclosed