SCHEMBL23399767

SCHEMBL23399767

CCCCc1[nH]n(-c2ccc(C)cc2)c(=O)c1-c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
GAA P10253 3/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
DCTPP1 Q9H773 2/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DPP4 P27487 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 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
SCHEMBL23400478 0.93 KDM4E (0.58) KDM4EGAAALOX15SMN1; SMN2MAPT
SCHEMBL23402525 0.85 GAA (0.46) KDM4EGAAALOX15SMN1; SMN2MAPT
SCHEMBL23403117 0.85 GAA (0.55) KDM4EGAAALOX15SMN1; SMN2MAPT
SCHEMBL23400374 0.84 KDM4E (0.63) KDM4EGAAALOX15MAPTLMNA
SCHEMBL23399510 0.84 SMN1; SMN2 (0.45) KDM4EGAASMN1; SMN2MAPTLMNA
SCHEMBL23399871 0.84 SMN1; SMN2 (0.51) KDM4EGAASMN1; SMN2MAPTLMNA
SCHEMBL23399453 0.83 KDM4E (0.44) KDM4ESMN1; SMN2MAPTLMNADCTPP1
SCHEMBL23400628 0.82 KDM4E (0.43) KDM4ESMN1; SMN2MAPTDCTPP1MEN1
SCHEMBL23401648 0.82 SMN1; SMN2 (0.49) KDM4EGAASMN1; SMN2MAPTLMNA
SCHEMBL23399933 0.82 SMN1; SMN2 (0.49) KDM4EGAASMN1; SMN2MAPTLMNA

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