SCHEMBL11239360

SCHEMBL11239360

CC(C)NCC(COc1ccc2ccccc2c1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.52
▸ RAB9A P51151 1/20 0.46
▸ ADRB2 P07550 4/20 0.44
▸ ADRB1 P08588 3/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ ADRB3 P13945 2/20 0.44
▸ NR2E1 Q9Y466 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ CASR P41180 1/20 0.42
▸ PPARG P37231 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL11222594 0.87 ADRB2 (0.57) ADRB2ADRB1CYP2D6ADRB3NR2E1
SCHEMBL11233401 0.84 ALOX5 (0.51) ALOX5RAB9AADRB2ADRB1CYP2D6
Hydrochloric Acid SCHEMBL11227660 0.83 ALOX5 (0.50) ALOX5RAB9AADRB2ADRB1CYP2D6
SCHEMBL11226386 0.79 NR2E1 (0.71) ADRB2ADRB1CYP2D6ADRB3NR2E1
SCHEMBL29437206 0.76 ADRB2 (0.70) RAB9AADRB2ADRB1CYP2D6ADRB3
SCHEMBL20552867 0.76 ADRB2 (0.70) RAB9AADRB2ADRB1CYP2D6ADRB3
SCHEMBL29437207 0.76 ADRB2 (0.70) RAB9AADRB2ADRB1CYP2D6ADRB3
SCHEMBL10338108 0.74 ADRB2 (0.40) RAB9AADRB2ADRB1CYP2D6ADRB3
SCHEMBL10338112 0.74 ADRB2 (0.40) RAB9AADRB2ADRB1CYP2D6ADRB3
SCHEMBL51460 0.71 ALOX5 (1.00) ALOX5RAB9AMEN1KMT2ACYP1A2

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-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 — — US disclosed
US-4018824-A ANTIULCER AND ADRENERGIC BLOCKING AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JA) 1977-04-19 — — US disclosed
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