SCHEMBL7367007

SCHEMBL7367007

CC(C)(CNC(=O)OCc1ccccc1)OC(=O)[C@H]1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HTR2C P28335 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
FKBP1A P62942 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SYK P43405 1/20 0.40
CPB1 P15086 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
SCHEMBL8036361 0.94 ITGB3 (0.45) ALDH1A1GAAHTR2CITGB3ITGA2B
SCHEMBL7397160 0.94 ALDH1A1 (0.43) ALDH1A1GAAHTR2CITGB3ITGA2B
SCHEMBL5225669 0.82 MAPT (0.48) HTR2CITGB3ITGA2B
SCHEMBL5226602 0.81 MAPT (0.41) HTR2CITGB3ITGA2B
SCHEMBL5227764 0.81 MAPT (0.41) HTR2CITGB3ITGA2B
SCHEMBL5221674 0.81 MAPT (0.41) HTR2CITGB3ITGA2B
SCHEMBL5222777 0.80 TSHR (0.52) ALDH1A1GAAHTR2CSMN1; SMN2TSHR
SCHEMBL1001991 0.80 TSHR (0.52) ALDH1A1GAAHTR2CSMN1; SMN2TSHR
SCHEMBL15626865 0.80 TSHR (0.52) ALDH1A1GAAHTR2CSMN1; SMN2TSHR
SCHEMBL29017563 0.79 TSHR (0.49) ALDH1A1GAAHTR2CITGB3ITGA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 WO disclosed
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