SCHEMBL9756955

SCHEMBL9756955

Cc1sc2ccccc2c1C(C(=O)O)=C(C(=O)O)c1c(C)sc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
PRNP P04156 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MCL1 Q07820 1/20 0.42
GPR3 P46089 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MAOB P27338 1/20 0.40
CNR2 P34972 3/20 0.39
CNR1 P21554 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 2/20 0.39
HSD11B1 P28845 1/20 0.39
PLA2G10 O15496 1/20 0.39
LIMK1 P53667 2/20 0.39

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
SCHEMBL9756952 1.00 LMNA (0.46) LMNAMAPK1ALDH1A1TDP1KDM4E
SCHEMBL13766669 0.86 LMNA (0.39) LMNAMAPK1ALDH1A1TDP1KDM4E
SCHEMBL1398747 0.85 PRNP (0.53) LMNAMAPK1ALDH1A1TDP1KDM4E
SCHEMBL29448323 0.85 PRNP (0.53) LMNAMAPK1ALDH1A1TDP1KDM4E
SCHEMBL13766683 0.82 LMNA (0.36) LMNAMAPK1ALDH1A1TDP1KDM4E
SCHEMBL9556945 0.81 LMNA (0.49) LMNAMAPK1ALDH1A1TDP1KDM4E
SCHEMBL3857541 0.81 LMNA (0.54) LMNAMAPK1ALDH1A1TDP1KDM4E
SCHEMBL3857539 0.81 LMNA (0.54) LMNAMAPK1ALDH1A1TDP1KDM4E
SCHEMBL31350344 0.80 LIMK1 (0.56) LMNAMAPK1ALDH1A1KDM4EHPGD
SCHEMBL6840465 0.79 LMNA (0.41) LMNAMAPK1ALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3014538-A None JP disclosed
JP-H0314538-A PRODUCTION OF DIARYLMALEIC ACID DERIVATIVE AND DIARYLETHENE KANEBO LTD 1991-01-23 JP disclosed