SCHEMBL29158652

SCHEMBL29158652

CCOC(=O)c1nc(-c2cccc(OC)c2)oc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 3/20 0.57
PDCD4 Q53EL6 1/20 0.56
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 5/20 0.55
HPGD P15428 3/20 0.55
KMT2A Q03164 2/20 0.55
IKBKB O14920 1/20 0.55
HSD17B10 Q99714 1/20 0.55
VDR P11473 6/20 0.51
NPSR1 Q6W5P4 1/20 0.50
F2 P00734 1/20 0.50
PPARD Q03181 3/20 0.49
ESR1 P03372 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
RXRA P19793 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
ESR2 Q92731 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL16005699 0.88 TARBP2 (0.72) TARBP2PDCD4ALDH1A1KDM4EHPGD
SCHEMBL29158677 0.88 TARBP2 (0.72) TARBP2PDCD4ALDH1A1KDM4EHPGD
SCHEMBL27189057 0.88 TARBP2 (0.54) TARBP2PDCD4ALDH1A1KDM4EHPGD
SCHEMBL28297240 0.87 TARBP2 (0.73) TARBP2PDCD4ALDH1A1KDM4EHPGD
SCHEMBL4499055 0.87 TARBP2 (0.73) TARBP2PDCD4ALDH1A1KDM4EHPGD
SCHEMBL29158802 0.86 TARBP2 (0.62) TARBP2PDCD4ALDH1A1KDM4EHPGD
SCHEMBL29158607 0.85 TARBP2 (0.55) TARBP2PDCD4ALDH1A1KDM4EHPGD
SCHEMBL25165083 0.85 IKBKB (0.72) TARBP2PDCD4ALDH1A1KDM4EHPGD
SCHEMBL1969979 0.85 TARBP2 (0.50) TARBP2PDCD4ALDH1A1KDM4EHPGD
SCHEMBL29158596 0.84 KDM4E (0.55) TARBP2PDCD4ALDH1A1KDM4EHPGD

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
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN claimed
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed