SCHEMBL2441990

SCHEMBL2441990

CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1CCC(N)c1nc2ccccc2o1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.35
RAB9A P51151 2/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN2 P17706 3/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
PPARD Q03181 1/20 0.33
P2RY14 Q15391 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
ELANE P08246 1/20 0.33
NPC1 O15118 1/20 0.32
TNF P01375 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2441993 0.82 MAPT (0.40) RAB9AKMT2ASMN1; SMN2PPARGPPARA
SCHEMBL2441994 0.78 NPC1 (0.39) RAB9ASMN1; SMN2ELANENPC1
SCHEMBL2472594 0.73 PPARG (0.60) KMT2APPARGPPARAPPARDMAPT
SCHEMBL29025518 0.72 MEN1 (0.45) KMT2AMAPT
SCHEMBL6543501 0.72 ADRB3 (0.39) PPARGPPARAPPARDP2RY14MAPT
SCHEMBL2439261 0.71 NPSR1 (0.39) ALDH1A1
SCHEMBL2438493 0.71 TAAR1 (0.40) ALDH1A1
SCHEMBL2440537 0.71 PPARG (0.45) RAB9ASMN1; SMN2PPARGPPARAPPARD
SCHEMBL6543074 0.70 PPARG (0.39) PPARGPPARAPPARDALDH1A1
SCHEMBL5703664 0.70 KMT2A (0.39) PTPN1RAB9AKMT2ASMN1; SMN2PTPN2

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
EP-1433786-B1 Benzoxazole compound and pharmaceutical composition containing the compound KOWA CO (JP) 2011-09-21 EP disclosed
EP-1433786-A1 Benzoxazole compound and pharmaceutical composition containing the compound Kowa Company Ltd. (JP) 2004-06-30 EP disclosed