SCHEMBL10516616

SCHEMBL10516616

c1ccc(OCN2CCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
LTA4H P09960 1/20 0.40
PDK1 Q15118 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNA3 P22001 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 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
SCHEMBL5694910 0.73 SIGMAR1 (0.48) MAPTALDH1A1TDP1CYP2D6
SCHEMBL12486958 0.72 LTA4H (0.58) LTA4HALDH1A1KDM4EHRH3SMN1; SMN2
SCHEMBL2300940 0.72 LTA4H (0.53) LTA4HALDH1A1KDM4EHRH3SMN1; SMN2
SCHEMBL255055 0.72 ESR1 (0.58) LTA4HALDH1A1KMT2AKDM4EHRH3
SCHEMBL3154476 0.71 HRH3 (0.57) LTA4HALDH1A1KDM4EHRH3SMN1; SMN2
SCHEMBL10407980 0.67 NAAA (0.47) ALDH1A1MEN1KMT2A
SCHEMBL11728275 0.64 ALDH1A1 (0.38) LTA4HPDK1ALDH1A1MEN1KMT2A
SCHEMBL8469734 0.64 POLB (0.51) ALDH1A1MEN1KMT2ATSHR
SCHEMBL27945286 0.64 LTA4H (0.54) MAPTLTA4HALDH1A1MEN1KMT2A
SCHEMBL6003334 0.63 KCNA3 (0.48) LTA4HALDH1A1MEN1KMT2AKCNA3

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
EP-0310061-A1 5-Mono or Disubstituted-3-(phenyl or 2-naphthalenyl)-3-[(1H-imidazol-1-ylmethyl) or (1H-1,2,4-triazol-1-ylmethyl)]-2-(methyl or benzyl)isoxazolidines FISONS CORPORATION (US) 1989-04-05 EP disclosed
EP-0257351-A2 3-Phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)-5-substituted-2-methyl-isoxazolidines FISONS CORPORATION (a Massachusetts corporation) (US) 1988-03-02 EP disclosed