SCHEMBL29996591

SCHEMBL29996591

CCCCOc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2C)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.66
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ PTPN11 Q06124 2/20 0.51
▸ PDE10A Q9Y233 1/20 0.51
▸ EIF4A1 P60842 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ PLA2G2A P14555 3/20 0.48
▸ HSD17B10 Q99714 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
SCHEMBL23579598 1.00 DHODH (0.66) DHODHMEN1KMT2APTPN11PDE10A
SCHEMBL23590276 0.94 DHODH (0.61) DHODHMEN1KMT2APTPN11PDE10A
SCHEMBL29997741 0.94 DHODH (0.61) DHODHMEN1KMT2APTPN11PDE10A
SCHEMBL29997369 0.92 DHODH (0.67) DHODHMEN1KMT2APTPN11PDE10A
SCHEMBL23590270 0.92 DHODH (0.67) DHODHMEN1KMT2APTPN11PDE10A
SCHEMBL23590317 0.92 DHODH (0.61) DHODHMEN1KMT2APDE10AEIF4A1
SCHEMBL29918673 0.89 DHODH (0.70) DHODHMEN1KMT2APDE10AEIF4A1
SCHEMBL23576326 0.89 DHODH (0.70) DHODHMEN1KMT2APDE10AEIF4A1
SCHEMBL26075191 0.89 DHODH (0.51) DHODHMEN1KMT2APTPN11KDM4E
SCHEMBL23580018 0.88 DHODH (0.62) DHODHMEN1KMT2APTPN11PDE10A

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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