SCHEMBL9258663

SCHEMBL9258663

C=C(CC1Cc2ccccc2C1=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.52
ACHE P22303 7/20 0.48
CYP19A1 P11511 1/20 0.46
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
HTR2C P28335 2/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL7737589 0.86 METAP1 (0.52) METAP1ACHECYP19A1MAPTMAPK1
SCHEMBL28522885 0.78 METAP1 (0.50) METAP1ACHECYP19A1MAPTMAPK1
SCHEMBL6273185 0.77 METAP1 (0.59) METAP1ACHECYP19A1HTR2CHTR1A
SCHEMBL31374607 0.77 METAP1 (0.55) METAP1ACHECYP19A1HTR2CHTR1A
SCHEMBL9938389 0.77 METAP1 (0.55) METAP1ACHECYP19A1HTR2CHTR1A
SCHEMBL6273473 0.77 METAP1 (0.63) METAP1ACHECYP19A1HTR2CHTR1A
SCHEMBL866816 0.76 METAP1 (0.67) METAP1ACHECYP19A1HTR2CHTR1A
SCHEMBL6695612 0.75 METAP1 (0.57) METAP1ACHECYP19A1HTR2CHTR1A
SCHEMBL24506346 0.74 METAP1 (0.55) METAP1ACHECYP19A1HTR2CHTR1A
SCHEMBL490810 0.74 MAPT (0.70) METAP1ACHEMAPTMAPK1ATM

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-5424308-A Immunomodulating agents FARMITALIA CARLO ERBA S.R.L. (IT) 1995-06-13 US disclosed