SCHEMBL9466772

SCHEMBL9466772

O=C(O)C(CC1Cc2ccccc2C1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GRM7 Q14831 2/20 0.40
CYP19A1 P11511 1/20 0.39
IDO1 P14902 1/20 0.39
ADRA2A P08913 1/20 0.39
GAA P10253 1/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
ACE P12821 2/20 0.37
ACLY P53396 1/20 0.37
LPAR1 Q92633 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL27076467 0.83 ALPI (0.47) MAPTIDO1
SCHEMBL7680917 0.83 ACE (0.47) GRM7ACE
SCHEMBL27076468 0.83 ALPI (0.47) MAPTIDO1
Hydrochloric Acid SCHEMBL8590375 0.82 ALPI (0.46) IDO1
Hydrochloric Acid SCHEMBL8590499 0.82 ALPI (0.46) IDO1
Hydrochloric Acid SCHEMBL8590359 0.82 ALPI (0.46) IDO1
SCHEMBL8589263 0.78 TSHR (0.39) MAPTGRM7IDO1MTNR1AMTNR1B
SCHEMBL8587688 0.78 TSHR (0.39) MAPTGRM7IDO1MTNR1AMTNR1B
SCHEMBL8590527 0.77 IDO1 (0.50) MAPTIDO1MTNR1AMTNR1BKDM4E
SCHEMBL1340255 0.75 DGAT1 (0.47) MAPTCYP19A1IDO1GAAALDH1A1

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-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed