SCHEMBL6603521

SCHEMBL6603521

COC(=O)CCc1oc(N)nc1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
EGFR P00533 1/20 0.40
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 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
SCHEMBL1362553 0.87 CYP11B1 (0.43) CYP11B1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL10833120 0.86 ALDH1A1 (0.43) CYP11B1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL6605761 0.85 CYP11B1 (0.41) CYP11B1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL5206850 0.83 RXRA (0.46) CYP11B1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL5211537 0.82 RXRA (0.47) KDM4EALDH1A1MAPTLMNARXRA
SCHEMBL5209458 0.81 LMNA (0.44) CYP11B1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL5212252 0.81 MAPT (0.47) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL5209323 0.81 MAPT (0.41) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL7461993 0.80 MAPT (0.40) CYP11B1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL5209417 0.79 TP53 (0.41) CYP11B1CYP11B2KDM4EALDH1A1MAPT

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
US-6699995-B1 ALKYLATION AT 5-POSITION OF OXAZOLE BY REACTION WITH UNSATURATED COMPOUND IN PRESENCE OF ACID OR BASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
EP-1219610-B1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-25 EP disclosed
EP-1219610-A1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed