SCHEMBL23398555

SCHEMBL23398555

Cc1ccccc1-c1cc(O)nn1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
PDE1A P54750 4/20 0.36
PDE1B Q01064 4/20 0.36
PDE1C Q14123 4/20 0.36
FLT1 P17948 1/20 0.36
CDK8 P49336 1/20 0.36
CDK9 P50750 1/20 0.36
LIMK1 P53667 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
NPC1 O15118 4/20 0.35

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
SCHEMBL23399008 0.78 ESRRA (0.43) RAB9ASMN1; SMN2HPGDMAPTALOX15
SCHEMBL23402429 0.78 P2RY6 (0.50) RAB9AHPGDMAPTALOX15TSHR
SCHEMBL23400178 0.77 HPGD (0.35) RAB9ASMN1; SMN2HPGDMAPTALOX15
SCHEMBL23399729 0.74 CYP1A2 (0.41) RAB9ASMN1; SMN2HPGDMAPTALOX15
SCHEMBL23403109 0.74 ALDH1A1 (0.49) RAB9ASMN1; SMN2HPGDMAPTALOX15
SCHEMBL23398859 0.74 HTR2C (0.38) RAB9ASMN1; SMN2HPGDMAPTALOX15
SCHEMBL23402508 0.74 FABP3 (0.51) RAB9AHPGDMAPTUSP2TSHR
SCHEMBL23399354 0.74 RAB9A (0.38) RAB9ASMN1; SMN2HPGDMAPTALOX15
SCHEMBL23400429 0.73 KMT2A (0.41) RAB9ASMN1; SMN2HPGDMAPTALOX15
SCHEMBL23399273 0.72 ESR1 (0.40) RAB9ASMN1; SMN2HPGDMAPTALOX15

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed