SCHEMBL7021952

SCHEMBL7021952

COC(=O)[C@@H]1CC(Oc2ccc(OC(C)(C)C)cc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.45
P2RX3 P56373 1/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 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
SCHEMBL7021955 1.00 MCL1 (0.45) MCL1P2RX3POLBALDH1A1NPSR1
SCHEMBL7015459 0.91 POLB (0.47) MCL1POLBALDH1A1NPSR1TP53
SCHEMBL2298566 0.91 POLB (0.47) MCL1POLBALDH1A1NPSR1TP53
SCHEMBL7015458 0.91 POLB (0.47) MCL1POLBALDH1A1NPSR1TP53
SCHEMBL7020805 0.90 ALDH1A1 (0.48) MCL1POLBALDH1A1NPSR1TP53
SCHEMBL7020775 0.90 ALDH1A1 (0.48) MCL1POLBALDH1A1NPSR1TP53
SCHEMBL8999682 0.87 POLB (0.43) MCL1P2RX3POLBALDH1A1NPSR1
SCHEMBL23364628 0.86 POLB (0.46) POLBALDH1A1NPSR1PDK1PDK2
SCHEMBL17124819 0.86 POLB (0.46) POLBALDH1A1NPSR1PDK1PDK2
SCHEMBL8999670 0.85 HRH3 (0.43) MCL1P2RX3POLBALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
US-5484780-A CARDIOVASCULAR, HYPOTENSIVE ELI LILLY AND COMPANY (US) 1996-01-16 US disclosed
US-5401851-A Preparation of proline derivatives ELI LILLY AND COMPANY (US) 1995-03-28 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed
EP-0573271-A1 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-08 EP disclosed