SCHEMBL10829871

SCHEMBL10829871

[CH]=CC(C)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 7/20 0.59
▸ AKR1C2 P52895 7/20 0.59
▸ LMNA P02545 5/20 0.59
▸ PTGS1 P23219 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ PTGS2 P35354 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ FABP2 P12104 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ AKR1C4 P17516 1/20 0.59
▸ ADRA2B P18089 1/20 0.59
▸ CHRM3 P20309 1/20 0.59
▸ HTR2C P28335 1/20 0.59
▸ DRD3 P35462 1/20 0.59
▸ AKR1C1 Q04828 1/20 0.59
▸ SLC22A6 Q4U2R8 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59

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
SCHEMBL2918748 0.84 AKR1C3 (0.63) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL4949023 0.84 AKR1C3 (0.63) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL7348404 0.84 AKR1C3 (0.63) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL2739316 0.81 AKR1C3 (0.68) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL11308920 0.78 AKR1C3 (0.69) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL9880847 0.78 AKR1C3 (0.64) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL13009935 0.78 AKR1C3 (0.64) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL10829258 0.78 AKR1C3 (0.64) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL12327018 0.78 LMNA (0.64) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL7159596 0.78 AKR1C3 (0.64) AKR1C3AKR1C2LMNAPTGS1MEN1

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
US-4618617-A ANTIINFLAMMATORY, ANALGESIC AGENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-10-21 — — US disclosed
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