SCHEMBL7367693

SCHEMBL7367693

Cc1c(OCC(=O)O)noc1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MCL1 Q07820 1/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
MAPT P10636 3/20 0.39
FFAR1 O14842 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 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
SCHEMBL7370266 0.82 SMN1; SMN2 (0.44) KDM4EHPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL7374874 0.82 SMN1; SMN2 (0.41) KDM4EHPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL7370168 0.82 KDM4E (0.46) KDM4EHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL7406133 0.78 GRIA1 (0.58) KDM4EHPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL7406142 0.78 GRIA1 (0.58) KDM4EHPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL27369371 0.76 RAB9A (0.40) KDM4EHPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL7366847 0.76 TSHR (0.41) KDM4EHPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL7370615 0.75 ERCC1 (0.46) KDM4ESMN1; SMN2MCL1RAB9ANPC1
SCHEMBL8120929 0.75 MCL1 (0.36) KDM4EHPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL7373678 0.74 NPC1 (0.43) KDM4EHPGDSMN1; SMN2RAB9ANPC1

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
EP-0994107-A1 5-Arylisoxazol-4-yl-substituted 2-amino carboxylic acid compounds H. LUNDBECK A/S (DK) 2000-04-19 EP disclosed
EP-0726896-A1 5-ARYLISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS H. LUNDBECK A/S (DK) 1996-08-21 EP disclosed
WO-1995012587-A1 5-ARYLISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS H. LUNDBECK A/S (DK) 1995-05-11 WO disclosed