SCHEMBL9905481

SCHEMBL9905481

Cc1ccc(C)c(-c2cccc3c2CCCC3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 3/20 0.42
ALOX12 P18054 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 2/20 0.39
S1PR4 O95977 1/20 0.38
MAPT P10636 5/20 0.37
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
CCR4 P51679 1/20 0.36
TSHR P16473 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
SCHEMBL4974372 0.81 BCL2L1 (0.60) BCL2L1BADALDH1A1SMN1; SMN2GAA
SCHEMBL7523105 0.79 PNMT (0.45) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
Bromide SCHEMBL7104246 0.79 BCL2L1 (0.58) BCL2L1BADALDH1A1SMN1; SMN2GAA
SCHEMBL29488244 0.77 BCL2L1 (0.54) BCL2L1BADMEN1KMT2AL3MBTL1
SCHEMBL17698887 0.77 BCL2L1 (0.54) BCL2L1BADMEN1KMT2AL3MBTL1
SCHEMBL5231256 0.74 CCR1 (0.47) BCL2L1BADALDH1A1SMN1; SMN2MEN1
SCHEMBL9876227 0.74 MEN1 (0.49) BCL2L1BADALDH1A1SMN1; SMN2GAA
SCHEMBL9876199 0.72 MEN1 (0.47) BCL2L1BADALDH1A1SMN1; SMN2GAA
SCHEMBL10788244 0.72 TSHR (0.54) ALDH1A1SMN1; SMN2GAAALOX12MEN1
SCHEMBL197716 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAAMEN1KMT2A

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-1196956-B1 OLIGOMERIC AND POLYMERIC OLED MATERIALS PRODUCED VIA ARYLATION OF QUINONES HONEYWELL INT INC (US) 2012-06-13 EP claimed