SCHEMBL2436622

SCHEMBL2436622

CC(C)(C)OC(=O)C(C)(C)Oc1cccc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
KMT2A Q03164 1/20 0.48
NR4A2 P43354 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMO O15229 1/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
MITF O75030 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL2441559 0.85 SMN1; SMN2 (0.47) KMT2ANPC1RAB9APOLBMRGPRX4
SCHEMBL12327872 0.84 AKR1C3 (0.56) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL593324 0.84 AKR1C3 (0.59) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL1549954 0.82 PPARA (0.60) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL18804484 0.82 PPARA (0.46) KMT2APOLBCYP2C9KDM4EPPARG
SCHEMBL977500 0.81 CA1 (0.48) KMT2ANR4A2CYP2C9RXRARXRB
SCHEMBL14943944 0.80 CYP3A4 (0.44) POLBPPARGPPARA
SCHEMBL30609812 0.80 CYP1A2 (0.41) KMT2ACYP2C9MRGPRX4KDM4EPPARG
SCHEMBL4576129 0.80 CYP1A2 (0.41) KMT2ACYP2C9MRGPRX4KDM4EPPARG
SCHEMBL1550516 0.78 PPARA (0.49) AKR1C3RXRAPPARGPPARA

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-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
US-6653334-B1 Electively activate peroxisome proliferator activated receptors KOWA CO., LTD. (JP) 2003-11-25 US disclosed