SCHEMBL10814733

SCHEMBL10814733

CCCC(C)(CC)CCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.33
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL28105635 0.91 LMNA (0.36) CYP3A4MEN1ALOX15KMT2ALMNA
SCHEMBL5872378 0.88 MEN1 (0.41) CYP3A4MEN1ALOX15KMT2ALMNA
SCHEMBL24296723 0.82 ALDH1A1 (0.41) CYP3A4MEN1ALOX15KMT2A
SCHEMBL19142935 0.78 MEN1 (0.32) CYP3A4MEN1ALOX15KMT2ALMNA
SCHEMBL29163241 0.78 OPRM1 (0.38) LMNATSHR
SCHEMBL2563360 0.78 TSHR (0.33) LMNAHSD17B10TSHRTDP1
SCHEMBL598167 0.77 TSHR (0.40) LMNAHSD17B10TSHRTDP1
SCHEMBL10814728 0.77 MEN1 (0.38) CYP3A4MEN1ALOX15KMT2ALMNA
SCHEMBL305352 0.77
SCHEMBL21044806 0.76 SMN1; SMN2 (0.46) MEN1KMT2ALMNAHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129211-B1 2,6-TRANS-DIMETHYL MORPHOLINE DERIVATIVES, FUNGICIDES CONTAINING THEM AND METHODS OF COMBATING FUNGI BASF Aktiengesellschaft (DE) 1987-02-04 EP disclosed
EP-0129211-A1 2,6-Trans-dimethyl morpholine derivatives, fungicides containing them and methods of combating fungi BASF Aktiengesellschaft (DE) 1984-12-27 EP disclosed