SCHEMBL11233401

SCHEMBL11233401

CC(C)(C)NCC(COc1ccc2ccccc2c1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.51
▸ CASR P41180 7/20 0.47
▸ CYP2D6 P10635 2/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ KDM1A O60341 1/20 0.42
▸ PPARG P37231 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40

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
Hydrochloric Acid SCHEMBL11227660 0.99 ALOX5 (0.50) ALOX5CASRCYP2D6ADRB2ADRB1
SCHEMBL11239360 0.84 ALOX5 (0.52) ALOX5CASRCYP2D6ADRB2ADRB1
SCHEMBL11226228 0.80 NR2E1 (0.50) CYP2D6ADRB2ADRB1ADRB3MEN1
Hydrochloric Acid SCHEMBL11734283 0.79 NR2E1 (0.49) CYP2D6ADRB2ADRB1ADRB3MEN1
SCHEMBL11237234 0.77 CYP2D6 (0.71) CASRCYP2D6ADRB2ADRB1KDM1A
SCHEMBL11239573 0.75 MEN1 (0.45) CYP2D6ADRB2ADRB1ADRB3MEN1
Hydrochloric Acid SCHEMBL11229212 0.74 MEN1 (0.46) CYP2D6ADRB2ADRB1ADRB3MEN1
SCHEMBL11143175 0.71 ADRB2 (0.69) CYP2D6ADRB2ADRB1ADRB3MEN1
SCHEMBL12085980 0.71 ADRB2 (0.46) CYP2D6ADRB2ADRB1ADRB3KMT2A
SCHEMBL51460 0.70 ALOX5 (1.00) ALOX5PPARGMEN1KMT2APOLB

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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