SCHEMBL11249303

SCHEMBL11249303

c1ccc(COc2ccc(CCOCC3CCC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.51
ADRB1 P08588 2/20 0.49
LMNA P02545 2/20 0.49
CYP2D6 P10635 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 1/20 0.49
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
ADRB2 P07550 1/20 0.48
GAA P10253 1/20 0.48
BLM P54132 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
FOXM1 Q08050 1/20 0.48
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
BCHE P06276 1/20 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
SCHEMBL11246289 0.96 HRH3 (0.50) HRH3ADRB1LMNACYP2D6MEN1
SCHEMBL5865519 0.94 LTA4H (0.51) HRH3ADRB1LMNACYP2D6MEN1
SCHEMBL11249305 0.84 ADRB1 (0.46) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL321181 0.82 FOXM1 (0.59) LMNACYP1A2KMT2ALTA4HGAA
SCHEMBL11256793 0.82 LMNA (0.53) HRH3LMNACYP1A2LTA4HEPHX2
SCHEMBL27994907 0.82 DRD2 (0.55) HRH3EPHX2SIGMAR1
SCHEMBL11246294 0.80 ADRB1 (0.45) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL8490584 0.80 SIGMAR1 (0.59) HRH3ADRB1LMNACYP2D6MEN1
SCHEMBL11239345 0.78 ADRB1 (0.48) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7294956 0.78 LMNA (0.49) ADRB1LMNACYP2D6MEN1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4311708-A ADRENERGIC BLOCKING AGENTS SYNTHELABO (FR) 1982-01-19 US disclosed
US-4252984-A 1-/P-/2-/CYCLOPROPYLMETHOXY/ETHYL/PHENOXY/-3-ISOPROPYLAMINO-2 -PROPANOL SYNTHELABO (FR) 1981-02-24 US disclosed