SCHEMBL29094802

SCHEMBL29094802

[O-][N+](=CCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR52 Q9Y2T5 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2A6 P11509 1/20 0.37
HTR2A P28223 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL11818883 0.82 TP53 (0.38) ALDH1A1SMN1; SMN2MAOB
SCHEMBL29094817 0.79 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL27507506 0.79 MAOB (0.46) ALDH1A1TDP1LOXL2MAOB
SCHEMBL9077521 0.78 ALDH1A1 (0.41) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9077527 0.78 ALDH1A1 (0.41) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9077524 0.78 ALDH1A1 (0.41) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL29094830 0.78 TP53 (0.41) ALDH1A1TDP1MAOB
SCHEMBL29185800 0.77 HDAC1 (0.36) ALDH1A1HPGDTDP1
SCHEMBL29185757 0.77 EPHX2 (0.38) ALDH1A1MAOB
SCHEMBL30128926 0.77 HDAC1 (0.36) ALDH1A1HPGDTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583970-B Method for preparing alpha- (hydroxyamino) diaryl phosphine oxide from nitrone 华北理工大学 2024-11-26 CN disclosed
CN-115583970-A Method for preparing alpha- (hydroxy amino) diaryl phosphine oxide from nitrone 华北理工大学 2023-01-10 CN disclosed