SCHEMBL31499366

SCHEMBL31499366

O=C(c1ccc(C(F)(F)F)cc1)N1CCOCC1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.79
MLYCD O95822 1/20 0.75
HPGD P15428 4/20 0.71
TSHR P16473 2/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
PHGDH O43175 1/20 0.63
KCNH2 Q12809 1/20 0.62
AKR1C3 P42330 2/20 0.61
GAA P10253 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HDAC4 P56524 1/20 0.59
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 1/20 0.57
HSD11B1 P28845 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL3939273 0.89 EPHX2 (1.00) EPHX2MLYCDHPGDLMNASMN1; SMN2
SCHEMBL10720943 0.86 PHGDH (0.81) EPHX2MLYCDHPGDTSHRKMT2A
SCHEMBL2686486 0.84 HPGD (0.96) EPHX2MLYCDHPGDTSHRMEN1
SCHEMBL30964009 0.83 GAA (0.73) EPHX2MLYCDHPGDTSHRMEN1
SCHEMBL30691979 0.83 HIF1A (0.58) EPHX2MLYCDHPGDTSHRLMNA
SCHEMBL270344 0.83 ALDH1A1 (0.71) EPHX2MLYCDHPGDMEN1KMT2A
SCHEMBL9677283 0.83 HPGD (1.00) EPHX2MLYCDHPGDTSHRMEN1
SCHEMBL7581128 0.81 POLB (0.74) EPHX2HPGDTSHRMEN1KMT2A
SCHEMBL28254884 0.81 MEN1 (0.73) EPHX2MLYCDHPGDTSHRMEN1
SCHEMBL5208543 0.81 EPHX2 (0.77) EPHX2MLYCDHPGDTSHRKMT2A

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-119504653-A Carboxylic acid amidation method 国网安徽省电力有限公司电力科学研究院 2025-02-25 CN disclosed