SCHEMBL29997066

SCHEMBL29997066

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ LMNA P02545 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ PLA2G2A P14555 1/20 0.55
▸ DHODH Q02127 8/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ EIF4A1 P60842 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
SCHEMBL23590245 1.00 KDM4E (0.64) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL23590314 0.92 KDM4E (0.70) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL29997481 0.92 KDM4E (0.70) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL29997602 0.89 DHODH (0.57) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL23590096 0.89 DHODH (0.57) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL23579612 0.88 DHODH (0.57) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL29997055 0.88 DHODH (0.57) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL28891183 0.88 PDE10A (0.57) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL23580627 0.87 DHODH (0.55) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL29997421 0.87 DHODH (0.55) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10

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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