SCHEMBL31441007

SCHEMBL31441007

COc1ccc(CCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
F2RL1 P55085 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CALM1 P0DP23 1/20 0.45
POLB P06746 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
PLAAT3 P53816 1/20 0.44

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
SCHEMBL7453768 0.92 F2RL1 (0.53) F2RL1ALDH1A1KMT2AMEN1TSHR
SCHEMBL13964341 0.92 ALOX5 (0.45) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10309800 0.86 NAAA (0.46) CASP3CASP7FFAR4PLAAT3PLAAT5
SCHEMBL31225518 0.84 SMN1; SMN2 (0.54) CYP3A4HPGDCYP2C19ALDH1A1KMT2A
SCHEMBL13939391 0.84 F2RL1 (0.45) F2RL1ALDH1A1KMT2AMEN1TSHR
SCHEMBL18353700 0.83 MGLL (0.35) KMT2A
SCHEMBL18354384 0.83 KMT2A (0.36) HPGDKMT2A
SCHEMBL18353837 0.83 FAAH (0.37) KMT2A
SCHEMBL19743116 0.83 HRH4 (0.43)
SCHEMBL16508659 0.83 MAOB (0.38) KMT2A

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-119677541-A Aromatic boron-containing compounds and related insulin analogues 原聚体科技公司 2025-03-21 CN disclosed