SCHEMBL10919689

SCHEMBL10919689

Cc1ccc(SCCCCOc2cc3c(cc2Cl)NC(=O)OC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 5/20 0.34
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL10917569 0.82 PDE3B (0.51) ALDH1A1PDE3BPDE3APOLBMAPT
SCHEMBL10917765 0.81 PDE3B (0.33) ALDH1A1PDE3BPDE3APOLBMAPT
SCHEMBL10919432 0.80 ALDH1A1 (0.37) ALDH1A1POLBMAPTHPGDKDM4E
SCHEMBL10917227 0.80 PGR (0.39) ALDH1A1POLBMAPTHPGDNPSR1
SCHEMBL10999026 0.80 ALDH1A1 (0.36) ALDH1A1PDE3BPDE3APOLBMAPT
SCHEMBL10914139 0.76 PDE3B (0.48) ALDH1A1PDE3BPDE3AHTTMAPK1
SCHEMBL10917621 0.74 ALDH1A1 (0.37) ALDH1A1POLBMAPTHPGDKDM4E
SCHEMBL10919238 0.74 PDE3B (0.47) ALDH1A1PDE3BPDE3APOLBMAPT
SCHEMBL10917489 0.73 HPGD (0.33) PDE3BPDE3AHPGDKDM4E
SCHEMBL10916440 0.72 PGR (0.47) ALDH1A1MAPTHPGDKDM4EL3MBTL1

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-0093922-B1 BENZOXAZIN-2-ONES, THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1986-12-30 — — EP disclosed
US-4518597-A THROMBOSIS, ARTERIOSCLEROSIS, ANTITUMOR, ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1985-05-21 — — US disclosed
EP-0093922-A2 Benzoxazin-2-ones, their preparation and therapeutic agents containing these compounds Dr. Karl Thomae GmbH (DE) 1983-11-16 — — EP disclosed
Send feedback