SCHEMBL9308372

SCHEMBL9308372

CCCC(CC(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.65
AKR1A1 P14550 1/20 0.65
CHRM3 P20309 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
ADRA1A P35348 1/20 0.65
HRH1 P35367 1/20 0.65
DRD3 P35462 1/20 0.65
SLC6A3 Q01959 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC2 Q92769 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
SLC1A2 P43004 4/20 0.61
SLC1A1 P43005 4/20 0.61
GRIK1 P39086 3/20 0.61
GRIK2 Q13002 3/20 0.61
SLC1A3 P43003 3/20 0.61
FOLH1 Q04609 2/20 0.52
CA2 P00918 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL29109670 0.91 TDP1 (0.71) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6454152 0.91 TDP1 (0.71) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL707746 0.91 TDP1 (0.71) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28191888 0.88 TDP1 (0.68) CHRM1AKR1A1CHRM3HTR2AHTR2C
Water SCHEMBL28136139 0.88 TDP1 (0.68) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12611015 0.88 CHRM1 (0.83) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11880015 0.85 CHRM1 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1198439 0.85 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1198437 0.85 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
Dimethylamine SCHEMBL27914176 0.84 CHRM1 (0.62) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-5296269-A Process for increasing the crease resistance of silk textiles THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1994-03-22 US disclosed