SCHEMBL13754641

SCHEMBL13754641

CC(C)=CC(=O)Oc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 5/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
FAAH O00519 1/20 0.40
MAPT P10636 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL5736870 0.80 RAB9A (0.50) SMN1; SMN2KMT2ANPSR1MAOBLMNA
SCHEMBL1405221 0.79 ELANE (0.47) SMN1; SMN2KMT2AMAOBKDM4EGAA
SCHEMBL28397010 0.79 ELANE (0.49) SMN1; SMN2KMT2AMEN1KDM4EGAA
SCHEMBL26500824 0.79 KDM4E (0.47) KDM4EATMALDH1A1
SCHEMBL28894377 0.79 KMT2A (0.48) KMT2AMEN1KDM4EGAAATM
SCHEMBL660921 0.79 LMNA (0.64) SMN1; SMN2KMT2ANPSR1MAOBLMNA
SCHEMBL1665241 0.78 KMT2A (0.53) SMN1; SMN2KMT2ALMNAMEN1KDM4E
SCHEMBL32665655 0.78 HSD17B10 (0.59) SMN1; SMN2KMT2ALMNAGAAALDH1A1
SCHEMBL28742677 0.77 CA2 (0.48) SMN1; SMN2KMT2ALMNAMEN1KDM4E
SCHEMBL5778741 0.77 MAPT (0.53) SMN1; SMN2KMT2ANPSR1LMNAMEN1

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
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed