SCHEMBL11401804

SCHEMBL11401804

CC(C)(C)CO.O=C(O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 3/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
BTK Q06187 1/20 0.39
TSHR P16473 4/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 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
SCHEMBL2847820 0.89 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10CES2CES1LMNA
SCHEMBL9436669 0.84 CES2 (0.44) SMN1; SMN2HSD17B10CES2CES1LMNA
Formic Acid SCHEMBL2161063 0.83 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10CES2CES1LMNA
Alcohol SCHEMBL27732747 0.82 CES2 (0.46) SMN1; SMN2CES2CES1LMNAPLG
SCHEMBL813277 0.82 CES2 (0.38) SMN1; SMN2HSD17B10CES2CES1LMNA
Ethylene Glycol SCHEMBL28101539 0.81 CES2 (0.50) SMN1; SMN2CES2CES1LMNAPLG
Cyclohexane SCHEMBL28236664 0.81 CES2 (0.55) SMN1; SMN2CES2CES1LMNAPLG
SCHEMBL25212375 0.81 CES2 (0.61) SMN1; SMN2CES2CES1LMNAPLG
SCHEMBL242069 0.81 CES2 (0.61) SMN1; SMN2CES2CES1LMNAPLG
SCHEMBL5493736 0.81 CES2 (0.61) SMN1; SMN2CES2CES1LMNAPLG

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-4288335-A REACTING ESTER WITH PHOSPHORUS SULFIDE, METAL OXIDE OROGIL (FR) 1981-09-08 US disclosed