SCHEMBL7526587

SCHEMBL7526587

C=C(CC)C(=O)OCCOc1ccccc1.C=C(CCC)C(=O)OC1CCCC1.OC=Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 1/20 0.35
CHRNA7 P36544 2/20 0.34
PPARA Q07869 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 6/20 0.33
ACHE P22303 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
PKM P14618 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL7251881 0.93 POLB (0.36) RAB9ANPC1HPGDTHRBCHRNA7
SCHEMBL7521253 0.84 TDP1 (0.42) RAB9ANPC1HPGDTHRBGAA
SCHEMBL7523926 0.79 TDP1 (0.49) RAB9ANPC1HPGDGAASMN1; SMN2
SCHEMBL7529002 0.75 TDP1 (0.41) RAB9ANPC1HPGDTHRBMEN1
SCHEMBL7135684 0.74 THRB (0.55) RAB9ANPC1HPGDTHRBMEN1
SCHEMBL632277 0.69 NAAA (0.50) SMN1; SMN2ALDH1A1
SCHEMBL8043107 0.68 THRB (0.57) RAB9ANPC1HPGDTHRBMEN1
SCHEMBL2090330 0.68 NAAA (0.51) ALDH1A1TSHR
SCHEMBL29117582 0.68 NAAA (0.51) ALDH1A1TSHR
SCHEMBL3440952 0.68 THRB (0.51) RAB9ANPC1HPGDTHRBCHRNA7

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
US-20020039701-A1 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-04-04 US disclosed