SCHEMBL24470862

SCHEMBL24470862

Cc1oc2ccc(OC(C)c3ccccc3)cc2c1C(=O)NC1(C(N)=O)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ IGLV6-57 P01721 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ SLC26A4 O43511 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL29713149 0.93 GAA (0.44) GAASMN1; SMN2POLBIGLV6-57ALOX5
SCHEMBL24470622 0.91 GAA (0.45) GAASMN1; SMN2POLBIGLV6-57MAPK1
SCHEMBL29713074 0.83 CASP3 (0.62) GAACASP3SENP8SENP7SENP6
SCHEMBL24470861 0.83 CASP3 (0.62) GAACASP3SENP8SENP7SENP6
SCHEMBL24470935 0.80 GAA (0.43) GAASMN1; SMN2POLBMAPK1MAPK10
SCHEMBL24470936 0.80 GAA (0.43) GAASMN1; SMN2POLBMAPK1MAPK10
SCHEMBL29713010 0.80 GAA (0.44) GAAIGLV6-57MAPK1MAPK10KDM4E
SCHEMBL24470933 0.79 GAA (0.47) GAASMN1; SMN2POLBALOX5KDM4E
SCHEMBL24485157 0.79 CASP3 (0.46) GAASMN1; SMN2POLBMAPK1MAPK10
SCHEMBL24470742 0.79 SLC26A4 (0.52) GAASMN1; SMN2POLBMAPK1KDM4E

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
CN-116761796-A Aryl derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2023-09-15 — — CN disclosed
WO-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 — — WO disclosed
Send feedback