SCHEMBL9501225

SCHEMBL9501225

C=CCC1CCCC(=O)C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CYP19A1 P11511 3/20 0.33
PRSS1 P07477 2/20 0.33
CTRC Q99895 2/20 0.33
F2 P00734 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL20969924 0.81 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL20969209 0.81 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL9541433 0.79 MEN1 (0.45) KMT2AMEN1ALDH1A1CYP19A1PRSS1
SCHEMBL22772431 0.76 CA1 (0.41) KMT2ACA1CA2CA4NOS3
SCHEMBL18611288 0.76 CA1 (0.41) KMT2ACA1CA2CA4NOS3
SCHEMBL3594380 0.75 AKR1C4 (0.41) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL10406320 0.75 MEN1 (0.42) KMT2AMEN1ALDH1A1CYP19A1PRSS1
SCHEMBL10406318 0.75 MEN1 (0.42) KMT2AMEN1ALDH1A1CYP19A1PRSS1
SCHEMBL10406322 0.75 MEN1 (0.42) KMT2AMEN1ALDH1A1CYP19A1PRSS1
SCHEMBL23688589 0.75 CA1 (0.40) KMT2ACA1CA2CA4

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-5250696-A Treatment of degenerative diseases STERLING WINTHROP INC. (US) 1993-10-05 US disclosed