SCHEMBL8752153

SCHEMBL8752153

CCCCOC(=O)c1cc(I)c(I)c(I)c1I

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.58
TSHR P16473 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL8752081 0.81 ESR1 (0.58) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL243995 0.79 TSHR (0.71) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL7591679 0.78 ESR1 (0.55) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL11418643 0.75 TSHR (0.77) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL3665345 0.75 ESR1 (0.69) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL21705266 0.75 ESR1 (0.46) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4628086 0.74 TSHR (0.65) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4626773 0.74 TSHR (0.65) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4627375 0.74 TSHR (0.65) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28451057 0.74 TSHR (0.65) ESR1TSHRTDP1L3MBTL1CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566690-B1 TORQUE RESISTANT TUBING COHEN SOLOMON (US) 1997-04-09 EP disclosed
EP-0566690-A4 TORQUE RESISTANT TUBING. FLYNN VINCENT J (US) 1994-10-19 EP disclosed
EP-0566690-A1 TORQUE RESISTANT TUBING. FLYNN VINCENT J (US) 1993-10-27 EP disclosed
WO-1993008861-A1 TORQUE RESISTANT TUBING FLYNN VINCENT J (US) 1993-05-13 WO disclosed
US-5085649-A Torque controlled tubing COHEN, MARK 1992-02-04 US disclosed