SCHEMBL9813673

SCHEMBL9813673

CCC1(C2CCCCC2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.40
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTR7 P34969 1/20 0.33
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
KMT2A Q03164 1/20 0.30
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30
CHRNA7 P36544 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL17592852 0.71 HSD11B1 (0.34) HSD11B1HTR7APPBACE1BACE2
SCHEMBL28958880 0.70 HSD11B1 (0.35) HSD11B1APPBACE1BACE2KMT2A
SCHEMBL11866512 0.69 HSD11B1 (0.33) HSD11B1LMNATSHRHTR7
SCHEMBL9813816 0.64 LMNA (0.37) HSD11B1LMNATSHRAPPBACE1
SCHEMBL2779134 0.64 GAA (0.51) HSD11B1LMNAALDH1A1GAATDP1
SCHEMBL8105682 0.62 SHBG (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6866727 0.61 LMNA (0.34) HSD11B1LMNATSHRAPPBACE1
SCHEMBL9876785 0.61 LMNA (0.34) HSD11B1LMNATSHRAPPBACE1
SCHEMBL9874539 0.61 LMNA (0.34) HSD11B1LMNATSHRAPPBACE1
SCHEMBL6866723 0.61 LMNA (0.34) HSD11B1LMNATSHRAPPBACE1

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-0219199-B1 METHOD FOR PREPARATION OF LACTONES COULSTON INTERNATIONAL CORPORATION (US) 1991-07-31 EP disclosed
US-4772728-A AND ALDEHYDE ANGUS CHEMICAL COMPANY (US) 1988-09-20 US disclosed
EP-0219199-A1 Method for preparation of lactones COULSTON INTERNATIONAL CORPORATION (US) 1987-04-22 EP disclosed