SCHEMBL9836081

SCHEMBL9836081

CC(=O)OCC(CCl)CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 7/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
AR P10275 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 3/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL888659 0.84 ALDH1A1 (0.50) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL7816892 0.81 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10AR
SCHEMBL202653 0.78
SCHEMBL1233099 0.78
SCHEMBL204805 0.78
SCHEMBL13459987 0.77 TDP1 (0.45) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL27305 0.77 ALDH1A1 (0.50) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL12889164 0.77 ALDH1A1 (0.50) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL5358516 0.77 TDP1 (0.45) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL2477734 0.75 TDP1 (0.43) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2

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
EP-0210203-B1 PROPANOL DERIVATIVES SYMBICOM AB (SE) 1991-08-07 EP disclosed
US-4933510-A Propanol derivatives SYMBICOM AKTIEBOLAG (SE) 1990-06-12 US disclosed
WO-1986004056-A1 PROPANOL DERIVATIVES SYN-TEK AB (SE) 1986-07-17 WO disclosed