SCHEMBL167895

SCHEMBL167895

CCCCCCCCCCc1cc(C(=O)OCCCCCCCC(C)C)cc(C(=O)OCCCCCCCC(C)C)c1C(=O)OCCCCCCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL17627330 0.92 ESR1 (0.56) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL615768 0.92 ESR1 (0.56) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2975185 0.92 ESR1 (0.56) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1681654 0.88 RARB (0.41) TSHRALDH1A1LMNAMAPK1
SCHEMBL17817820 0.84 TSHR (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL316164 0.84 TSHR (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL3851805 0.84 TSHR (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL317668 0.84 TSHR (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7744521 0.84 TSHR (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL9656585 0.83 KDM4E (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030088-A2 REMOVAL PRESSURE SENSITIVE ADHESIVE OF AQUEOUS EMULSION AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2012-03-08 WO claimed
US-20130157050-A1 REMOVAL PRESSURE SENSITIVE ADHESIVE OF AQUEOUS EMULSION AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2013-06-20 US disclosed
WO-2012030088-A2 REMOVAL PRESSURE SENSITIVE ADHESIVE OF AQUEOUS EMULSION AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2012-03-08 WO disclosed