SCHEMBL23399388

SCHEMBL23399388

CCCCc1c(O)nn(-c2cccc(C)c2)c1CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 3/20 0.39
CTSK P43235 1/20 0.39
MAPT P10636 3/20 0.38
RPA1 P27694 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APLNR P35414 1/20 0.38
HSD11B1 P28845 1/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK2 O43353 1/20 0.36
TLR8 Q9NR97 1/20 0.36
KLKB1 P03952 1/20 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
SCHEMBL23402887 0.97 ALDH1A1 (0.40) ALDH1A1LMNACTSKMAPTRPA1
SCHEMBL23401478 0.96 ALDH1A1 (0.40) ALDH1A1LMNACTSKMAPTRPA1
SCHEMBL23398375 0.95 ALDH1A1 (0.40) ALDH1A1LMNACTSKMAPTRPA1
SCHEMBL23403110 0.93 ALDH1A1 (0.40) ALDH1A1LMNACTSKMAPTRPA1
SCHEMBL23400954 0.92 ALDH1A1 (0.41) ALDH1A1LMNACTSKMAPTRPA1
SCHEMBL23400894 0.90 ALDH1A1 (0.42) ALDH1A1LMNACTSKMAPTRPA1
SCHEMBL23402417 0.90 ALDH1A1 (0.36) ALDH1A1LMNACTSKMAPTRPA1
SCHEMBL23401373 0.89 LMNA (0.38) ALDH1A1LMNACTSKMAPTRPA1
SCHEMBL23402313 0.88 ALDH1A1 (0.42) ALDH1A1LMNACTSKMAPTRPA1
SCHEMBL23401744 0.86 ALDH1A1 (0.41) ALDH1A1LMNACTSKMAPTRPA1

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