SCHEMBL3363852

SCHEMBL3363852

CC(=Cc1ccc(C)cc1)COC(=O)CC/C(C)=C/c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2240835 0.90 SMN1; SMN2 (0.45) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL2240212 0.84 ALDH1A1 (0.44) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL9998159 0.83 LMNA (0.41) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL9998157 0.83 LMNA (0.41) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL30698174 0.80 RAB9A (0.42) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL26967385 0.80 RAB9A (0.42) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL3360111 0.78 KMT2A (0.57) MAPTL3MBTL1LMNAPOLBGAA
SCHEMBL3360105 0.78 KMT2A (0.57) MAPTL3MBTL1LMNAPOLBGAA
SCHEMBL3246447 0.78 MAPT (0.60) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL3246446 0.78 MAPT (0.60) MAPTLMNAPOLBALDH1A1SMN1; SMN2

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
WO-2010052635-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 WO disclosed