SCHEMBL30679844

SCHEMBL30679844

CC(C)(C)c1ccc(Nc2csc3c2C(C)(C)CC3(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ P2RY1 P47900 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CCR4 P51679 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL23452045 0.89 AKR1C3 (0.33) AKR1C3AKR1C2PTGIRSLC2A1P2RY1
SCHEMBL23450928 0.82 AKR1C3 (0.34) AKR1C3AKR1C2PTGIRSLC2A1CCR4
SCHEMBL29203951 0.76 OPRD1 (0.34) AKR1C3AKR1C2PTGIR
SCHEMBL23927568 0.69 AKR1C3 (0.39) AKR1C3AKR1C2PTGIRSLC2A1P2RY1
SCHEMBL23442436 0.69 AKR1C3 (0.35) AKR1C3AKR1C2PTGIRSLC2A1P2RY1
SCHEMBL24442961 0.67 — —
SCHEMBL28934299 0.66 AKR1C3 (0.33) AKR1C3AKR1C2PTGIRSLC2A1
SCHEMBL28705731 0.66 SLC2A1 (0.34) AKR1C3AKR1C2PTGIRSLC2A1
SCHEMBL30679842 0.66 AKR1C3 (0.33) AKR1C3AKR1C2PTGIRSLC2A1
SCHEMBL23444395 0.66 KDM4E (0.44) AKR1C3AKR1C2PTGIRSLC2A1CCR4

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-113906580-B Organic light-emitting element 株式会社LG化学 2023-12-08 — — CN disclosed
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