SCHEMBL9768543

SCHEMBL9768543

C=C(CCCO)C(=O)O.C=CC(=O)OCCCC

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.65
HPGD P15428 1/20 0.65
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 3/20 0.45
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 3/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACHE P22303 3/20 0.35

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
SCHEMBL9776651 0.96 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL11033656 0.93 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL719063 0.92 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL11029235 0.91 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL8899313 0.90 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL8547396 0.90 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL1532604 0.89 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL8382799 0.88 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL4606582 0.88 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL29285339 0.87 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4ATM

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-5024892-A Magnetic recording medium having a binder comprising a copolymer which includes a vinyl compound having a dialkylaminoalkyl group FUJI PHOTO FILM CO., LTD. (JP) 1991-06-18 US disclosed