SCHEMBL19984677

SCHEMBL19984677

CNC(c1ccccc1)c1cccc(OCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.57
RXRB P28702 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RXRG P48443 1/20 0.57
TSHR P16473 1/20 0.57
CHRM3 P20309 4/20 0.57
SRD5A2 P31213 2/20 0.56
NR4A2 P43354 5/20 0.56
NR4A1 P22736 2/20 0.52
NR4A3 Q92570 2/20 0.52
KMT2A Q03164 1/20 0.51
MAOB P27338 1/20 0.50
SPHK2 Q9NRA0 1/20 0.49
SPHK1 Q9NYA1 1/20 0.49

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
SCHEMBL19984429 0.88 CHRM3 (0.62) RXRARXRBSMN1; SMN2RXRGTSHR
SCHEMBL20373866 0.88 CHRM3 (0.62) RXRARXRBSMN1; SMN2RXRGTSHR
SCHEMBL20373372 0.84 CHRM3 (0.61) RXRARXRBSMN1; SMN2RXRGTSHR
SCHEMBL14166143 0.83 CHRM3 (0.61) RXRARXRBSMN1; SMN2RXRGTSHR
SCHEMBL19903853 0.83 MAOB (0.56) SMN1; SMN2KMT2AMAOBSPHK2SPHK1
SCHEMBL15783775 0.81 CHRM3 (0.60) RXRARXRBSMN1; SMN2RXRGCHRM3
SCHEMBL16213804 0.81 RXRA (0.57) RXRARXRBSMN1; SMN2RXRGTSHR
SCHEMBL14240817 0.81 RXRA (0.57) RXRARXRBSMN1; SMN2RXRGTSHR
SCHEMBL19984510 0.80 CHRM3 (0.64) SMN1; SMN2CHRM3KMT2AMAOBSPHK2
Hydrochloric Acid SCHEMBL15768201 0.80 SMN1; SMN2 (0.60) RXRARXRBSMN1; SMN2RXRGTSHR

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-2928889-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-03-21 EP disclosed