SCHEMBL9414337

SCHEMBL9414337

CC(=O)OC1CC=C(CCC=C(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
FNTA P49354 2/20 0.46
PKM P14618 1/20 0.46
PGGT1B P53609 1/20 0.46
MCL1 Q07820 12/20 0.43
BCL2L1 Q07817 6/20 0.43
BCL2 P10415 8/20 0.41
FNTB P49356 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
BID P55957 1/20 0.37
BAK1 Q16611 1/20 0.37

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
SCHEMBL11313567 0.89 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL27652876 0.83 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL1171779 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTFNTA
Acetic Acid SCHEMBL9414340 0.78 MEN1 (0.57) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL1396409 0.78 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL9414347 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL25329254 0.77 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL9414354 0.77 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL15298583 0.77 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL19717960 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTFNTA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103319521-A Cyclic siloxane compositions for the release of active ingredients GEN ELECTRIC 2013-09-25 CN claimed
CN-1893910-A Cyclic siloxane compositions for active ingredient release GEN ELECTRIC (US) 2007-01-10 CN disclosed
EP-0582489-A1 Ferroelectric liquid crystal compounds with cyclohexenyl cores and compositions containing them DISPLAYTECH, INCORPORATED (US) 1994-02-09 EP disclosed
US-5271864-A Ferroelectric liquid crystal compounds with cyclohexenyl cores and compositions containing them DISPLAYTECH, INC. (US) 1993-12-21 US disclosed