SCHEMBL31618677

SCHEMBL31618677

CCC(=O)Cc1cc(F)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.46
▸ CYP4A11 Q02928 1/20 0.46
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ ALKBH1 Q13686 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ NR3C1 P04150 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ GRK6 P43250 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36

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
SCHEMBL13545137 0.87 KMT2A (0.52) POLBKMT2AAKR1C3AKR1C2MAPK8
SCHEMBL13545163 0.85 MEN1 (0.42) CYP4F2CYP4A11POLBKMT2ANR3C1
SCHEMBL14856202 0.84 PTGS1 (0.51) CYP4F2CYP4A11POLBFFAR4ALKBH1
SCHEMBL31189975 0.83 CYP4F2 (0.46) CYP4F2CYP4A11FFAR4ALKBH1NPC1
SCHEMBL7802725 0.83 HSP90AB1 (0.53) CYP4F2CYP4A11KMT2AFFAR4ALKBH1
SCHEMBL31618779 0.81 POLB (0.42) POLBKMT2ASMN1; SMN2AKR1C3AKR1C2
SCHEMBL31618821 0.79 KMT2A (0.39) CYP4F2CYP4A11POLBKMT2ASMN1; SMN2
SCHEMBL241171 0.77 PTGS2 (0.43) CYP4F2CYP4A11FFAR4ALKBH1
SCHEMBL7664052 0.76 CYP4F2 (0.44) CYP4F2CYP4A11FFAR4ALKBH1
SCHEMBL585906 0.76 CYP4F2 (0.62) CYP4F2CYP4A11FFAR4ALKBH1

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-120136646-A Method for synthesizing benzyl alkyl ketone compound by visible light catalysis 中国科学院化学研究所 2025-06-13 — — CN disclosed
Send feedback