SCHEMBL9799040

SCHEMBL9799040

CC(C)NCC(COc1cccc2c1C=CC2)OC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 4/20 0.40
▸ POLB P06746 1/20 0.38
▸ ADRB2 P07550 8/20 0.37
▸ ADRB1 P08588 7/20 0.37
▸ ADRB3 P13945 6/20 0.37
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SIGMAR1 Q99720 4/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ HTR2B P41595 3/20 0.36

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
SCHEMBL9798623 0.80 NR2E1 (0.64) NR2E1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9799136 0.77 ADRB2 (0.60) NR2E1ADRB2ADRB1ADRB3KDM4E
Indenolol SCHEMBL79023 0.77 ADRB2 (0.56) NR2E1ADRB2ADRB1ADRB3ALDH1A1
Indenolol SCHEMBL79021 0.77 ADRB2 (0.56) NR2E1ADRB2ADRB1ADRB3ALDH1A1
Indenolol SCHEMBL349116 0.76 ADRB2 (0.57) NR2E1ADRB2ADRB1ADRB3ALDH1A1
Indenolol SCHEMBL349114 0.76 ADRB2 (0.57) NR2E1ADRB2ADRB1ADRB3ALDH1A1
Indenolol SCHEMBL11666579 0.76 ADRB2 (0.48) NR2E1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9799474 0.75 ADRB2 (0.63) NR2E1ADRB2ADRB1ADRB3KDM4E
Indenolol SCHEMBL1650473 0.75 ADRB2 (0.54) NR2E1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9798811 0.74 ADRB2 (0.57) POLBADRB2ADRB1ADRB3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229947-B1 NOVEL CRYSTALLINE SALTS OF ARYLOXY-PROPANOLAMINES, THEIR PREPARATION AND THEIR USE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-03-13 — — EP disclosed
US-4849530-A Process for the preparation of crystalline salts or aryloxy-propanolamines RORER PHARMACEUTICAL CORPORATION (US) 1989-07-18 — — US disclosed
US-4767784-A DIPHENYLACETATES RORER PHARMACEUTICAL CORPORATION 1988-08-30 — — US disclosed
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