SCHEMBL4801967

SCHEMBL4801967

CC(=O)c1cccc2c1C=CCC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
DRD2 P14416 4/20 0.38
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 1/20 0.34
PARP1 P09874 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 4/20 0.32
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL5753321 0.84 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTALOX15
SCHEMBL24725708 0.83 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EALOX15PARP1
SCHEMBL13980589 0.82 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EDRD2GAA
SCHEMBL5751732 0.82 TRPA1 (0.48) ALDH1A1KDM4EDRD2KMT2A
SCHEMBL13740090 0.80 PARP1 (0.32) PARP1
SCHEMBL28426457 0.76 CHRNB2 (0.43) ALDH1A1GAASMN1; SMN2L3MBTL1KMT2A
SCHEMBL18602231 0.76 NPC1 (0.47) ALDH1A1HPGDKDM4EGAAMAPK1
SCHEMBL5749754 0.75 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTALOX15
SCHEMBL5753051 0.73 CXCR5 (0.39) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL24479743 0.73 TRPA1 (0.46) ALDH1A1HPGDKDM4EDRD2SMN1; SMN2

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
US-7361789-B1 Dihydronaphthalene compounds, compositions, uses thereof, and methods for synthesis AMGEN INC. (US) 2008-04-22 US disclosed
US-7361789-B1 Dihydronaphthalene compounds, compositions, uses thereof, and methods for synthesis AMGEN INC. (US) 2008-04-22 US disclosed
US-7361789-B1 Dihydronaphthalene compounds, compositions, uses thereof, and methods for synthesis AMGEN INC. (US) 2008-04-22 US disclosed