SCHEMBL23401339

SCHEMBL23401339

CCCCc1c(-c2ccccc2C)[nH]n(CC(C)C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PDE5A O76074 2/20 0.35
DCTPP1 Q9H773 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 3/20 0.34
LMNA P02545 2/20 0.34
APAF1 O14727 1/20 0.34
GAA P10253 1/20 0.34
NOD2 Q9HC29 1/20 0.34
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL23403691 0.94 SMN1; SMN2 (0.46) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL23399949 0.88 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL23401103 0.86 PDE4A (0.39) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL23402587 0.86 PDE4A (0.44) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL23400032 0.86 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL23402354 0.85 CYBB (0.45) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL23403623 0.82 PDE4A (0.43) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL23401028 0.82 NPC1 (0.38) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL23398591 0.81 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL23400246 0.80 NPC1 (0.40) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A

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