SCHEMBL28294912

SCHEMBL28294912

C=CCc1c(C)cccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
CA2 P00918 1/20 0.38
MAPT P10636 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
NLRP3 Q96P20 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX12 P18054 1/20 0.32
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SRD5A1 P18405 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
SCHEMBL1235826 0.82 MAPT (0.44) GABRA1GABRB2CA2MAPTALDH1A1
SCHEMBL7022661 0.81 GABRA1 (0.46) GABRA1GABRB2CA2ALDH1A1KDM4E
SCHEMBL31017014 0.80 ALDH1A1 (0.48) GABRA1GABRB2CA2MAPTALDH1A1
SCHEMBL7094975 0.80 ALDH1A1 (0.48) GABRA1GABRB2CA2MAPTALDH1A1
SCHEMBL14236812 0.78 GABRA1 (0.54) GABRA1GABRB2CA2ALDH1A1KDM4E
SCHEMBL9201480 0.76 GABRA1 (0.44) GABRA1GABRB2CA2MAPTALDH1A1
SCHEMBL3916579 0.75 GABRA1 (0.50) GABRA1GABRB2CA2ALDH1A1KDM4E
SCHEMBL17307162 0.75 GABRA1 (0.55) GABRA1GABRB2CA2ALDH1A1KDM4E
SCHEMBL9003490 0.75 GABRA1 (0.47) GABRA1GABRB2MAPTALDH1A1KDM4E
SCHEMBL26651800 0.75 GABRA1 (0.50) GABRA1GABRB2CA2ALDH1A1KDM4E

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-110078388-A Intermediate film for laminated glasses and laminated glass 积水化学工业株式会社 2019-08-02 CN disclosed
CN-110053332-A Intermediate film for laminated glasses and laminated glass 积水化学工业株式会社 2019-07-26 CN disclosed
CN-104781205-B Interlayer film for laminated glass and laminated glass 积水化学工业株式会社 2019-05-03 CN disclosed