SCHEMBL30263258

SCHEMBL30263258

c1ccc2c(c1)CCCC2C1CCOc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1A P35348 2/20 0.39
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL21294575 1.00 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AIDO1
SCHEMBL20725128 0.82 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AIDO1
SCHEMBL28011816 0.74 IDO1 (0.44) ADRA2AADRA2BADRA2CADRA1AIDO1
SCHEMBL145977 0.74 IDO1 (0.57) ADRA2AADRA1AIDO1
SCHEMBL29357487 0.74 IDO1 (0.57) ADRA2AADRA1AIDO1
Hydrochloric Acid SCHEMBL6542205 0.73 IDO1 (0.45) ADRA2AADRA2BADRA2CADRA1AIDO1
SCHEMBL7317272 0.71 ESR1 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL10682685 0.71 ESR1 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9391610 0.71 ESR1 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6784204 0.70 IDO1 (0.53) IDO1

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
EP-4161921-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF Anima Biotech Inc. (US) 2023-04-12 EP disclosed