SCHEMBL8635338

SCHEMBL8635338

O=C(Nc1ccc([N+](=O)[O-])cc1)N(CC1CCCCC1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.53
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ GAA P10253 3/20 0.49
▸ NAMPT P43490 1/20 0.49
▸ PTGES O14684 1/20 0.45
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ UBE2M P61081 1/20 0.44
▸ DCUN1D1 Q96GG9 1/20 0.44
▸ SLC6A9 P48067 1/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.43

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
SCHEMBL7770084 0.98 EPHX1 (0.53) EPHX1MEN1KMT2AALDH1A1GAA
SCHEMBL7770090 0.98 EPHX1 (0.53) EPHX1MEN1KMT2AALDH1A1GAA
SCHEMBL7615703 0.82 EPHX1 (0.60) EPHX1MEN1KMT2AALDH1A1GAA
SCHEMBL9257537 0.81 DCUN1D1 (0.52) EPHX1MEN1KMT2AALDH1A1GAA
SCHEMBL7767324 0.80 RAB9A (0.49) KMT2AALDH1A1NAMPTMAPTLMNA
SCHEMBL7767315 0.80 RAB9A (0.49) EPHX1KMT2AALDH1A1GAAMAPT
SCHEMBL7767319 0.80 RAB9A (0.49) EPHX1KMT2AALDH1A1GAAMAPT
SCHEMBL7767325 0.80 RAB9A (0.49) KMT2AALDH1A1NAMPTMAPTLMNA
SCHEMBL7765483 0.78 EPHX1 (0.53) EPHX1KMT2AALDH1A1GAAMAPT
SCHEMBL285807 0.78 EPHX1 (0.53) EPHX1KMT2AALDH1A1GAAMAPT

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
US-5733931-A ANTICHOLESTEROL AGENTS NISSIN FOOD PRODUCTS CO., LTD. (JP) 1998-03-31 — — US disclosed
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