SCHEMBL8567480

SCHEMBL8567480

CCC(C)NP(=O)(O)Oc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
KDM4E B2RXH2 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.40
HCAR3 P49019 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
MYC P01106 1/20 0.38

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
SCHEMBL8567477 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
SCHEMBL8567473 0.88 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
SCHEMBL9177303 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
SCHEMBL11046676 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
Butamifos SCHEMBL54426 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
Butamifos SCHEMBL29889547 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
SCHEMBL10507965 0.79 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
SCHEMBL7775360 0.74 TSHR (0.56) ALDH1A1KDM4EL3MBTL1CYP3A4TSHR
Ethane SCHEMBL11871920 0.74 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
Butamifos SCHEMBL14843942 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4

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
EP-0548593-B1 Tetrahydrofuran derivative and herbicide containing the same as effective ingredient MITSUBISHI CHEM CORP (JP) 1998-04-22 EP disclosed