SCHEMBL28891179

SCHEMBL28891179

CCCCOc1ccccc1-c1ccc(-c2cc(C(=O)O)c3cc(F)ccc3n2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 8/20 0.55
▸ PDE10A Q9Y233 6/20 0.51
▸ EIF4A1 P60842 2/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PTPN11 Q06124 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PLA2G2A P14555 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
SCHEMBL28891198 0.93 DHODH (0.57) DHODHPDE10AEIF4A1MEN1KMT2A
SCHEMBL28891175 0.92 DHODH (0.55) DHODHPDE10AEIF4A1MEN1KMT2A
SCHEMBL28891181 0.92 PDE10A (0.60) DHODHPDE10AMEN1KMT2AKDM4E
SCHEMBL28891182 0.90 DHODH (0.53) DHODHPDE10AEIF4A1MEN1KMT2A
SCHEMBL28885855 0.90 DHODH (0.65) DHODHPDE10AEIF4A1MEN1KMT2A
SCHEMBL23590276 0.86 DHODH (0.61) DHODHPDE10AEIF4A1MEN1KMT2A
SCHEMBL29997741 0.86 DHODH (0.61) DHODHPDE10AEIF4A1MEN1KMT2A
SCHEMBL28891171 0.86 DHODH (0.58) DHODHPDE10AEIF4A1MEN1KMT2A
SCHEMBL28885856 0.86 DHODH (0.61) DHODHPDE10AEIF4A1MEN1KMT2A
SCHEMBL28891192 0.85 DHODH (0.53) DHODHPDE10AEIF4A1MEN1KMT2A

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
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
Send feedback