SCHEMBL23398794

SCHEMBL23398794

CCCc1nn(-c2ccccc2C)c(CCC)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 3/20 0.34
APLNR P35414 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
DHODH Q02127 1/20 0.34
HIF1A Q16665 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL23402771 0.93 ALDH1A1 (0.35) ALDH1A1HSD11B1USP2MAPTAPLNR
SCHEMBL23400174 0.93 ALDH1A1 (0.35) ALDH1A1HSD11B1TSHRHTTKMT2A
SCHEMBL23400705 0.93 DHODH (0.38) ALDH1A1HSD11B1TSHRHTTKMT2A
SCHEMBL23400072 0.93 ALDH1A1 (0.36) ALDH1A1HSD11B1TSHRHTTKMT2A
SCHEMBL23402135 0.89 ALDH1A1 (0.35) ALDH1A1HSD11B1TSHRMAPTAPLNR
SCHEMBL23403100 0.88 KDM4E (0.40) ALDH1A1HSD11B1TSHRHTTKMT2A
SCHEMBL23399205 0.88 KDM4E (0.38) ALDH1A1HSD11B1TSHRHTTKMT2A
SCHEMBL23398770 0.87 HTT (0.41) ALDH1A1HSD11B1TSHRHTTKMT2A
SCHEMBL23403376 0.87 PDE4B (0.39) ALDH1A1HSD11B1TSHRHTTKMT2A
SCHEMBL23403073 0.85 DHODH (0.35) ALDH1A1HSD11B1MAPTAPLNRTHRB

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