SCHEMBL23399484

SCHEMBL23399484

Cc1ccccc1-c1nn(CC(C)C)cc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
HPGD P15428 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 3/20 0.35
ALOX15 P16050 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PDK2 Q15119 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
NPC1 O15118 3/20 0.33
LMNA P02545 3/20 0.33

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
SCHEMBL23400835 0.83 SMN1; SMN2 (0.38) HPGDRAB9ASMN1; SMN2MAPTALOX15
SCHEMBL23400430 0.81 TLR8 (0.37) HPGDRAB9ASMN1; SMN2MAPTALOX15
SCHEMBL23398898 0.81 HDAC8 (0.34) S1PR1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL23398902 0.80 S1PR1 (0.45) S1PR1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23402158 0.78 MAPT (0.39) HPGDRAB9ASMN1; SMN2MAPTALOX15
SCHEMBL23399083 0.78 TLR8 (0.41) HPGDRAB9ASMN1; SMN2MAPTALOX15
SCHEMBL23400975 0.76 ALDH1A1 (0.41) S1PR1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL23402215 0.74 DRD4 (0.42) HPGDRAB9ASMN1; SMN2MAPTALOX15
SCHEMBL23402713 0.74 ICMT (0.40) S1PR1GABRA1GABRB2HDAC8HDAC6
SCHEMBL23399531 0.72 ACHE (0.40) HPGDSMN1; SMN2USP2L3MBTL1ACHE

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