SCHEMBL20769804

SCHEMBL20769804

CCC(C(=O)O)c1ccccc1.CCC(C(=O)O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
KCNQ2 O43526 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4A O75164 1/20 0.51
BCHE P06276 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA1A P35348 1/20 0.51
CYP2D6 P10635 1/20 0.50

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
SCHEMBL1715 1.00 LMNA (0.59) LMNAHSD17B10CYP2C19ALDH1A1POLB
SCHEMBL67237 1.00 LMNA (0.59) LMNAHSD17B10CYP2C19ALDH1A1POLB
SCHEMBL65737 1.00 LMNA (0.59) LMNAHSD17B10CYP2C19ALDH1A1POLB
SCHEMBL29757088 1.00 LMNA (0.59) LMNAHSD17B10CYP2C19ALDH1A1POLB
SCHEMBL9171150 0.98 LMNA (0.58) LMNAHSD17B10CYP2C19ALDH1A1POLB
Methane SCHEMBL7338694 0.98 LMNA (0.58) LMNAHSD17B10CYP2C19ALDH1A1POLB
Hydrochloric Acid SCHEMBL16820451 0.98 LMNA (0.58) LMNAHSD17B10CYP2C19ALDH1A1POLB
Hydrochloric Acid SCHEMBL2008283 0.98 LMNA (0.58) LMNAHSD17B10CYP2C19ALDH1A1POLB
SCHEMBL5598361 0.98 LMNA (0.58) LMNAHSD17B10CYP2C19ALDH1A1POLB
SCHEMBL29272545 0.98 LMNA (0.58) LMNAHSD17B10CYP2C19ALDH1A1POLB

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
CN-114929209-A Treatment of amyotrophic lateral sclerosis 艾米利克斯制药公司 2022-08-19 CN disclosed
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed