SCHEMBL11113379

SCHEMBL11113379

CCC(C)c1ccc(OCOc2ccc(C(C)CC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TSHR P16473 1/20 0.62
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
HSP90AA1 P07900 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC7A5 Q01650 1/20 0.43
NQO1 P15559 1/20 0.42
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL825526 0.92 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL825588 0.92 ALDH1A1 (0.58) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL825494 0.92 ALDH1A1 (0.60) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL825598 0.91 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL12259611 0.90 ALDH1A1 (0.57) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL12587683 0.90 ALDH1A1 (0.57) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL825567 0.88 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL1104233 0.87 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL825634 0.86 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL11926040 0.85 ALDH1A1 (0.53) ALDH1A1TSHRMEN1KMT2ATDP1

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
EP-0054488-B1 USE OF DI(ALKYLPHENOXY) METHANES AS ISOLATING OILS, AND DI(ALKYLPHENOXY) METHANE WHICH CAN BE USED FOR THIS APPLICATION COMPAGNIE FRANCAISE DE RAFFINAGE Société anonyme dite: (FR) 1984-02-15 EP claimed
EP-0054488-A1 Use of di(alkylphenoxy) methanes as isolating oils, and di(alkylphenoxy) methane which can be used for this application COMPAGNIE FRANCAISE DE RAFFINAGE Société anonyme dite: (FR) 1982-06-23 EP claimed
EP-0054488-B1 USE OF DI(ALKYLPHENOXY) METHANES AS ISOLATING OILS, AND DI(ALKYLPHENOXY) METHANE WHICH CAN BE USED FOR THIS APPLICATION COMPAGNIE FRANCAISE DE RAFFINAGE Société anonyme dite: (FR) 1984-02-15 EP disclosed
EP-0054488-A1 Use of di(alkylphenoxy) methanes as isolating oils, and di(alkylphenoxy) methane which can be used for this application COMPAGNIE FRANCAISE DE RAFFINAGE Société anonyme dite: (FR) 1982-06-23 EP disclosed