SCHEMBL7397160

SCHEMBL7397160

CC(C)(CNC(=O)OCc1ccccc1)OC(=O)C1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
FKBP1A P62942 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.41
F10 P00742 1/20 0.41
HTR2C P28335 1/20 0.41
PREP P48147 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7367007 0.94 ALDH1A1 (0.43) ALDH1A1FKBP1AMEN1KMT2AGAA
SCHEMBL8036361 0.88 ITGB3 (0.45) ALDH1A1FKBP1AMEN1KMT2AGAA
SCHEMBL5213193 0.81 TSHR (0.50) ALDH1A1KMT2AGAAF10HTR2C
SCHEMBL5218077 0.81 TSHR (0.50) ALDH1A1KMT2AGAAF10HTR2C
SCHEMBL611205 0.81 TSHR (0.50) ALDH1A1KMT2AGAAF10HTR2C
SCHEMBL18477759 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AGAAF10
SCHEMBL4031368 0.80 PREP (0.41) ALDH1A1FKBP1AMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL9084788 0.79 TSHR (0.52) ALDH1A1KMT2AGAAF10HTR2C
SCHEMBL5225669 0.78 MAPT (0.48) HTR2CITGB3ITGA2B
SCHEMBL10957606 0.77 TSHR (0.49) ALDH1A1FKBP1AGAAF10HTR2C

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-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 EP disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 WO disclosed