SCHEMBL9029296

SCHEMBL9029296

COc1cc(CCC(=O)N[C@H]2CC[C@H](C)CC2)ccc1OCCCCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CNR2 P34972 4/20 0.43
CNR1 P21554 3/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BCHE P06276 5/20 0.43
ACHE P22303 5/20 0.43

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
SCHEMBL9029304 1.00 THRA (0.45) THRATHRBMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9030081 0.99 THRA (0.44) THRATHRBMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9030075 0.99 THRA (0.44) THRATHRBMEN1KMT2AKDM4E
SCHEMBL9030340 0.99 MEN1 (0.45) THRATHRBMEN1KMT2AKDM4E
SCHEMBL9030332 0.99 MEN1 (0.45) THRATHRBMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9028701 0.98 MEN1 (0.45) THRATHRBMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9028713 0.98 MEN1 (0.45) THRATHRBMEN1KMT2AKDM4E
SCHEMBL9029607 0.96 MEN1 (0.46) THRATHRBMEN1KMT2AALDH1A1
SCHEMBL9029599 0.96 MEN1 (0.46) THRATHRBMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9028955 0.95 MEN1 (0.45) THRATHRBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535250-B1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO (JP) 1996-06-19 EP disclosed
EP-0705817-A1 New cannamide derivatives and their use as allergy inhibitors TSUMURA & CO. (JP) 1996-04-10 EP disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 EP disclosed