SCHEMBL29997205

SCHEMBL29997205

CCCCOc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)c(OC)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.59
▸ KDM4E B2RXH2 4/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ POLB P06746 1/20 0.51
▸ PLA2G2A P14555 3/20 0.50
▸ EIF4A1 P60842 3/20 0.49
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PDE10A Q9Y233 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46

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
SCHEMBL23580009 1.00 DHODH (0.59) DHODHKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL23580018 0.90 DHODH (0.62) DHODHKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL29997228 0.90 DHODH (0.62) DHODHKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL29997741 0.90 DHODH (0.61) DHODHKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL23590276 0.90 DHODH (0.61) DHODHKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL23590246 0.89 DHODH (0.60) DHODHKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL23576326 0.88 DHODH (0.70) DHODHKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL29918673 0.88 DHODH (0.70) DHODHKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL28891182 0.88 DHODH (0.53) DHODHKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL26075197 0.88 DHODH (0.44) DHODHKDM4EMEN1KMT2ASMN1; SMN2

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-115361948-A Methods and compositions for inhibiting dihydroorotate dehydrogenase 俄亥俄州国家创新基金会 2022-11-18 — — CN disclosed
EP-4081215-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE Ohio State Innovation Foundation (US) 2022-11-02 — — EP disclosed
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