SCHEMBL29973103

SCHEMBL29973103

CCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ RXFP1 Q9HBX9 2/20 0.54
▸ PLA2G2A P14555 1/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ EIF4A1 P60842 2/20 0.51
▸ PDE10A Q9Y233 1/20 0.48
▸ TP53 P04637 2/20 0.47

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
SCHEMBL23578864 1.00 DHODH (0.58) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23590127 0.91 DHODH (0.55) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL26074858 0.91 PLA2G2A (0.64) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23590128 0.89 DHODH (0.58) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23578807 0.89 DHODH (0.55) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL29617652 0.88 DHODH (0.71) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23576327 0.88 DHODH (0.71) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL29972802 0.87 DHODH (0.55) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23578845 0.87 DHODH (0.55) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23578618 0.85 DHODH (0.67) DHODHKDM4ESMN1; SMN2ALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081520-A1 COMPOSITIONS FOR USE IN THE INHIBITION OF DIHYDROOROTATE DEHYDROGENASE Ohio State Innovation Foundation (US) 2022-11-02 — — EP disclosed
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