SCHEMBL11513248

SCHEMBL11513248

C=C(C)C(=O)OC.C=C(C=CC(=O)O)C(=O)OCCO.C=CC(=O)OCCCC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.49
HPGD P15428 1/20 0.49
HCAR2 Q8TDS4 4/20 0.47
ATM Q13315 1/20 0.38
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL11665731 0.96 TSHR (0.49) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL17997323 0.92 TSHR (0.49) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL2778233 0.92 TSHR (0.58) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL5859055 0.92 TSHR (0.58) TSHRHPGDHCAR2ATMALDH1A1
Styrene SCHEMBL11501866 0.91 TSHR (0.40) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL11660144 0.89 TSHR (0.56) TSHRHCAR2ATMALDH1A1MAPT
Acrylic Acid Ethyl Ester SCHEMBL3421934 0.89 TSHR (0.54) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL5049197 0.88 TSHR (0.59) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL459919 0.88 HCAR2 (0.51) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL9443412 0.88 TSHR (0.63) TSHRHPGDHCAR2ATMALDH1A1

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
US-4164488-A Aqueous thermosetting acrylic enamel E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-08-14 US disclosed
US-4076766-A AUTOMOBILE BUMPER, ACRYLIC ESTER, POLYESTER, AMINO RESIN CROSSLINKING AGENT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-02-28 US disclosed
US-3979535-A THERMOSETTING ACRYLIC ENAMEL E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-09-07 US disclosed