SCHEMBL11030271

SCHEMBL11030271

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

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.69
HPGD P15428 1/20 0.69
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
ATM Q13315 1/20 0.49
HCAR2 Q8TDS4 3/20 0.44
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
FAAH O00519 5/20 0.41
THRB P10828 2/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL7789531 0.94 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL31405830 0.91 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL8505774 0.91 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL8565036 0.90 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL185499 0.90 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4FAAH
SCHEMBL28057272 0.89 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL6731836 0.89 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4ATM
Ethylene SCHEMBL28845826 0.89 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4FAAH
SCHEMBL29143535 0.89 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4FAAH
SCHEMBL31636154 0.87 TSHR (0.63) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4521549-A POLYMER COMPOUND, ALUMINA HYDRATE, OXIDE RAYCHEM CORPORATION (US) 1985-06-04 US disclosed
US-4399064-A ALUMINA, METAL OXIDE FILLERS RAYCHEM CORPORATION (US) 1983-08-16 US disclosed
US-4223071-A ANTITRACKING ADDITIVES, RESISTANCE TO HIGH VOLTAGE ERROSION RAYCHEM CORPORATION (US) 1980-09-16 US disclosed
US-4219607-A High voltage insulating compositions containing phosphorus compounds RAYCHEM CORPORATION (US) 1980-08-26 US disclosed
US-4198310-A High voltage insulating compositions containing organic polymerizable phosphorus compounds RAYCHEM CORPORATION (US) 1980-04-15 US disclosed
US-4100089-A High-voltage insulating material comprising anti-tracking and erosion inhibiting compounds with insulating polymers RAYCHEM CORPORATION (US) 1978-07-11 US disclosed