SCHEMBL29997602

SCHEMBL29997602

CCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)c(F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ TP53 P04637 1/20 0.53
▸ PLA2G2A P14555 1/20 0.53
▸ CYP1A2 P05177 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ EIF4A1 P60842 2/20 0.48
▸ PDE10A Q9Y233 1/20 0.47
▸ CHRNA7 P36544 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL23590096 1.00 DHODH (0.57) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL23590091 0.92 DHODH (0.60) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL29997485 0.92 DHODH (0.60) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL29996606 0.91 DHODH (0.57) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL23579972 0.91 DHODH (0.57) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL23579612 0.91 DHODH (0.57) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL29997055 0.91 DHODH (0.57) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL23579655 0.91 DHODH (0.58) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL23580627 0.90 DHODH (0.55) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL29997421 0.90 DHODH (0.55) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA

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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