SCHEMBL28296470

SCHEMBL28296470

C=CC(=O)OC(C)(C)C.CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
DGKA P23743 1/20 0.44
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 3/20 0.42
PAM P19021 2/20 0.41
MAPK1 P28482 1/20 0.40
FAAH O00519 1/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
DNM1 Q05193 1/20 0.38
POLB P06746 1/20 0.38
POLA1 P09884 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NAAA Q02083 1/20 0.38
THRB P10828 2/20 0.38
THRA P10827 1/20 0.38

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
SCHEMBL28326776 0.90 TSHR (0.52) TSHRHPGDFAAHCES2CES1
Tetradecane SCHEMBL28204017 0.90 TSHR (0.52) TSHRHPGDFAAHCES2CES1
Pentadecane SCHEMBL28101027 0.90 TSHR (0.52) TSHRHPGDFAAHCES2CES1
Octane SCHEMBL28360215 0.90 TSHR (0.52) TSHRHPGDFAAHCES2CES1
Hexadecane SCHEMBL28137653 0.88 TSHR (0.50) TSHRHPGDFAAHCES2CES1
Hexane SCHEMBL28069832 0.88 TSHR (0.53) TSHRHPGDFAAHCES2CES1
SCHEMBL29212204 0.86 TSHR (0.56) TSHRDGKAHPGDMAPTLMNA
Decanoic Acid SCHEMBL28094400 0.85 GPR84 (0.57) TSHRMAPTLMNAPOLBALDH1A1
Nonanoate SCHEMBL28089961 0.85 GPR84 (0.57) TSHRMAPTLMNAPOLBALDH1A1
Palmitic Acid SCHEMBL28107075 0.85 GPR84 (0.57) TSHRMAPTLMNAPOLBALDH1A1

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
CN-109844003-A Fire retardant propylene compositions SABIC环球技术有限责任公司 2019-06-04 CN disclosed