SCHEMBL20373370

SCHEMBL20373370

CCC(C)c1cc(Br)c(C)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL19121635 0.84 GAA (0.44) POLBGAAGFERSMN1; SMN2
SCHEMBL14036622 0.82 POLB (0.65) POLBGAAGFERSMN1; SMN2TSHR
SCHEMBL19984600 0.79 POLB (0.45) POLBGAAGFER
SCHEMBL22796714 0.79 POLB (0.41) POLBGAAGFER
SCHEMBL20794477 0.76 POLB (0.38) POLBGAAGFERLMNA
SCHEMBL19308587 0.76 GAA (0.47) POLBGAAGFERTSHR
SCHEMBL16736890 0.75 RORC (0.46) GAATSHRLMNACYP1A2CYP2C19
SCHEMBL21823607 0.73 LMNA (0.49) GAASMN1; SMN2TSHRLMNA
SCHEMBL31096332 0.73 LMNA (0.49) GAASMN1; SMN2TSHRLMNA
SCHEMBL22838631 0.73 HTR2A (0.36) POLBGAAGFERTSHRLMNA

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
EP-3345904-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.a. (IT) 2018-07-11 EP disclosed