SCHEMBL3458246

SCHEMBL3458246

CC1OC1Oc1ccc(CCOCC2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL10890850 0.84 CHEK1 (0.38) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL9462184 0.84 ADRB1 (0.37) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL10864562 0.80 ADRB1 (0.36) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL11254105 0.79 PARP15 (0.38) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL29982657 0.79 NR3C1 (0.38) ADRB1CYP2D6KMT2AADRB2HTR2C
SCHEMBL13953857 0.76 LMNA (0.57) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL28715980 0.75 THRB (0.41) CYP2D6MEN1CYP1A2CYP2C9KMT2A
SCHEMBL21505015 0.75 ADRB1 (0.49) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL10863679 0.75 GABRA1 (0.37) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL27554627 0.75 ADRB1 (0.50) 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
WO-2010029566-A2 PROCESS FOR PREPARATION OF PHENOXYPROPANOL AMINES INDOCO REMEDIES LIMITED (IN) 2010-03-18 — — WO disclosed
EP-0168921-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-01-22 — — EP disclosed
Send feedback