SCHEMBL11478733

SCHEMBL11478733

CC(C)N(C)CC(O)COc1cccc(-c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.57
▸ PRMT5 O14744 3/20 0.48
▸ WDR77 Q9BQA1 3/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABCB1 P08183 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM1A O60341 1/20 0.43

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
SCHEMBL11478532 0.87 MEN1 (0.55) HIF1AMEN1KMT2AABCB1ALDH1A1
SCHEMBL1099465 0.79 FABP1 (0.50) PRMT5WDR77LMNA
SCHEMBL28343012 0.78 TSHR (0.64) HIF1APRMT5WDR77MEN1KMT2A
SCHEMBL773183 0.77 PRMT5 (0.54) HIF1APRMT5WDR77KMT2ATSHR
SCHEMBL11480301 0.77 ADRB2 (0.56) MEN1KMT2AABCB1TSHRALDH1A1
Hydrochloric Acid SCHEMBL11491938 0.77 PRMT5 (0.49) HIF1APRMT5WDR77TSHRPOLB
SCHEMBL14546242 0.73 KDM1A (0.55) HIF1APRMT5WDR77MEN1KMT2A
SCHEMBL258823 0.73 HIF1A (0.75) HIF1AABCB1ALDH1A1POLBLMNA
SCHEMBL14173798 0.72 MAPK1 (0.52) HIF1APRMT5WDR77TSHRALDH1A1
SCHEMBL11745913 0.71 NR2E1 (0.64) MEN1KMT2AABCB1TSHRALDH1A1

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
US-4241088-A 1-(Trialkylamino)-3-(phenylphenoxy)-2-propanol quarternary salts THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1980-12-23 — — US disclosed
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