SCHEMBL8568253

SCHEMBL8568253

C=C(C)C(=O)OC.C=C(C=C(CCCCC)C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 6/20 0.41
APEX1 P27695 3/20 0.39
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
HAO1 Q9UJM8 1/20 0.35
THRB P10828 1/20 0.35
PGGT1B P53609 1/20 0.35
POLB P06746 1/20 0.35
POLA1 P09884 1/20 0.35
AKR1B1 P15121 1/20 0.34
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
GPR84 Q9NQS5 5/20 0.33
HDAC11 Q96DB2 5/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
PTPN1 P18031 2/20 0.33

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
SCHEMBL8348270 0.85 GPR84 (0.47) ALDH1A1TSHRAPEX1POLBAKR1B1
SCHEMBL29109673 0.83 TSHR (0.44) ALDH1A1TSHRAPEX1FNTAFNTB
SCHEMBL8997946 0.81 APEX1 (0.40) ALDH1A1TSHRAPEX1AKR1B1PPARG
SCHEMBL6029955 0.79 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
SCHEMBL6029952 0.79 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
SCHEMBL6413754 0.79 ALDH1A1 (0.52) ALDH1A1TSHRFNTAFNTBHAO1
Hexanoate SCHEMBL30937464 0.78 AKR1B1 (0.59) ALDH1A1TSHRAPEX1POLBAKR1B1
Methacrylic Acid SCHEMBL27725370 0.78 TSHR (0.44) ALDH1A1TSHRAPEX1FNTAFNTB
Hexane SCHEMBL27951935 0.78 ALDH1A1 (0.71) ALDH1A1TSHRTHRBPOLBPOLA1
SCHEMBL20357568 0.77 TSHR (0.50) ALDH1A1TSHRFNTAFNTBHAO1

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-5821022-A STABLE RESIN FUJI XEROX CO., INC. LTD. (JP) 1998-10-13 US disclosed