SCHEMBL23071499

SCHEMBL23071499

CC1CC(c2ccsc2)CC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP2D6 P10635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
HTT P42858 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL1858459 0.72 HTR3A (0.37) ALDH1A1LMNACYP3A4CYP2C19POLB
SCHEMBL28686716 0.72 ADORA2B (0.34) ALDH1A1POLBSMN1; SMN2HCAR2
SCHEMBL11461120 0.72 ALDH1A1 (0.33) ALDH1A1NPSR1LMNACYP3A4CYP2C9
SCHEMBL23071529 0.72 IDH1 (0.39) ALDH1A1NPSR1LMNACYP3A4CYP2C9
SCHEMBL335898 0.72 ESR2 (0.52) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL28343291 0.72 ALDH1A1 (0.33) ALDH1A1NPSR1LMNACYP3A4CYP2C9
SCHEMBL6588666 0.70 ALDH1A1 (0.35) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL6588660 0.70 ALDH1A1 (0.35) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL6589660 0.70 CA2 (0.43) ALDH1A1NPSR1LMNACYP3A4CYP2C9
SCHEMBL6589658 0.70 CA2 (0.43) ALDH1A1NPSR1LMNACYP3A4CYP2C9

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-111801355-B Polymer material and method for producing same 国立大学法人大阪大学 2023-02-28 CN disclosed
WO-2021045203-A1 POLYMER MATERIAL AND PRODUCTION METHOD THEREFOR 国立大学法人大阪大学 2021-03-11 WO disclosed
CN-111801355-A Polymer material and method for producing same 国立大学法人大阪大学 2020-10-20 CN disclosed