SCHEMBL6507928

SCHEMBL6507928

COc1cc(C(=O)CN)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50
TUBA1C Q9BQE3 2/20 0.50
TUBB6 Q9BUF5 2/20 0.50
TUBB2B Q9BVA1 2/20 0.50

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 SCHEMBL5419382 0.98 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL10789209 0.87 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL7046987 0.84 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9828028 0.84 MEN1 (0.62) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL25238149 0.82 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL3407396 0.82 MEN1 (0.65) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL10483795 0.82 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL10882250 0.81 KMT2A (0.64) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL16070258 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL6129112 0.81 L3MBTL1 (0.59) ALDH1A1MEN1KMT2AKDM4EGAA

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009010542-A1 CYCLIC AMIDE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2009-01-22 WO disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
US-4683330-A ANTICOAGULANTS, ANTIULCER AGENTS THE UPJOHN COMPANY (US) 1987-07-28 US disclosed
US-4628110-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-12-09 US disclosed
US-4621100-A Treatment of osteoporosis with prostaglandins THE UPJOHN COMPANY (US) 1986-11-04 US disclosed
EP-0092352-B1 9-SUBSTITUTED CARBACYCLINS THE UPJOHN COMPANY (US) 1986-07-02 EP disclosed
EP-0086611-B1 9-SUBSTITUTED CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-05-21 EP disclosed
US-4590297-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-05-20 US disclosed
EP-0087237-B1 CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-05-14 EP disclosed
US-4588823-A 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-05-13 US disclosed
US-4160095-A PROSTAGLANDINS; ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-07-03 US disclosed
US-4157441-A PROSTAGLANDINS, ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-06-05 US disclosed
US-4151351-A PROSTAGLANDINS, ANTIINFLAMMATORY THE UPJOHN COMPANY (US) 1979-04-24 US disclosed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 US disclosed