SCHEMBL10459147

SCHEMBL10459147

COc1cccc(OC)c1OCCCCl

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.80
MAPK1 P28482 3/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP2D6 P10635 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56
L3MBTL1 Q9Y468 4/20 0.54
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 5/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAPT P10636 5/20 0.53
HPGD P15428 4/20 0.53
ATM Q13315 1/20 0.50
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47

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
SCHEMBL7332384 0.92 SMN1; SMN2 (0.73) SMN1; SMN2MAPK1MEN1KMT2ACYP2D6
SCHEMBL11568120 0.83 SMN1; SMN2 (0.80) SMN1; SMN2MAPK1MEN1KMT2ACYP2D6
SCHEMBL7775011 0.83 NPC1 (0.62) SMN1; SMN2MAPK1MEN1KMT2ACYP2D6
SCHEMBL10461568 0.82 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1KMT2AALDH1A1L3MBTL1
SCHEMBL7769079 0.82 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1MEN1KMT2ACYP2D6
SCHEMBL3062573 0.82 SMN1; SMN2 (0.77) SMN1; SMN2MAPK1MEN1KMT2ACYP2D6
SCHEMBL14176701 0.82 SMN1; SMN2 (0.77) SMN1; SMN2MAPK1MEN1KMT2ACYP2D6
SCHEMBL1545294 0.81 L3MBTL1 (0.63) SMN1; SMN2MAPK1CYP2D6ALDH1A1CYP1A2
SCHEMBL3079261 0.80 SMN1; SMN2 (0.74) SMN1; SMN2MAPK1MEN1KMT2ACYP2D6
SCHEMBL19612454 0.80 SMN1; SMN2 (0.74) SMN1; SMN2MAPK1MEN1KMT2ACYP2D6

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
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed