SCHEMBL7959976

SCHEMBL7959976

CCCC(=O)C(CCC#N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.42
TSHR P16473 2/20 0.38
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR3 O14843 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA2 P00918 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
SCHEMBL10886321 0.79 HDAC1 (0.50) SLC1A2TSHRHDAC1HDAC2CHRM1
SCHEMBL3103340 0.79 SLC1A2 (0.54) SLC1A2TSHRHDAC1HDAC2CHRM1
SCHEMBL4616596 0.75 CA2 (0.50) SLC1A2HDAC1HDAC2CHRM1AKR1A1
SCHEMBL4441158 0.75 SLC1A2 (0.47) SLC1A2TSHRHDAC1HDAC2CHRM1
Oxalic Acid SCHEMBL27668327 0.74 SLC1A2 (0.50) SLC1A2TSHRTDP1MEN1KMT2A
SCHEMBL3975057 0.74 HDAC1 (0.39) TSHRHDAC1HDAC2CHRM1AKR1A1
SCHEMBL7500371 0.74 GABRR1 (0.46) SLC1A2HDAC1HDAC2CHRM1AKR1A1
SCHEMBL9349434 0.74 GPR84 (0.52) SLC1A2GRIK1GRIK2GPR84FFAR1
SCHEMBL7055006 0.73 MEN1 (0.46) SLC1A2TSHRTDP1MEN1KMT2A
SCHEMBL15512497 0.72 GPR84 (0.55) TSHRTDP1MEN1KMT2AGPR84

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-6310076-B1 TREATING BENIGN PROSTATIC HYPERPLASIA, LOWERING INTRAOCULAR PRESSURE, INHIBITING CHOLESTEROL SYNTHESIS, TREATING DISEASES MEDIATED BY ALPHA-1 RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-10-30 US disclosed