SCHEMBL30068484

SCHEMBL30068484

O=C(O)c1cc2cc(OC(F)(F)F)c(F)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF4A3 P38919 3/20 0.50
▸ KDM4E B2RXH2 5/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ PDPK1 O15530 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GPR35 Q9HC97 1/20 0.49
▸ IDO1 P14902 2/20 0.47
▸ TDO2 P48775 2/20 0.47
▸ SMAD3 P84022 1/20 0.43
▸ SRD5A2 P31213 2/20 0.42
▸ SRD5A1 P18405 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL23389139 1.00 EIF4A3 (0.50) EIF4A3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL18239638 0.83 SRD5A1 (0.58) EIF4A3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1144949 0.82 SRD5A2 (0.56) EIF4A3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL25991354 0.79 HRH4 (0.51) KMT2A
SCHEMBL1822934 0.79 EIF4A3 (0.68) EIF4A3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL31287808 0.76 KDM4E (0.56) EIF4A3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1144612 0.76 EIF4A3 (0.60) EIF4A3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL23419026 0.75 AXL (0.38) KDM4EIDO1TDO2KMT2AMAPT
SCHEMBL23418847 0.75 EHMT2 (0.50) KDM4EIDO1TDO2KMT2AGAA
SCHEMBL23419229 0.75 EPHX2 (0.33) EPHX2

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-115335039-A Caspase 6 inhibitors and uses thereof 加利福尼亚大学董事会 2022-11-11 — — CN disclosed
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