SCHEMBL18457751

SCHEMBL18457751

COc1ccc(C[C@H](N)C(C)C)cc1OCCCO

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.53
SIGMAR1 Q99720 8/20 0.49
ALOX15 P16050 2/20 0.48
ALOX12 P18054 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
TUBB1 Q9H4B7 1/20 0.47

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
SCHEMBL16930132 0.88 REN (0.54) REN
SCHEMBL29840539 0.88 REN (0.54) REN
SCHEMBL18425645 0.88 REN (0.54) REN
SCHEMBL16930224 0.84 ALOX15 (0.59) ALOX15ALOX12KDM4EPOLB
SCHEMBL10119254 0.82 REN (0.52) RENALOX15ALOX12KDM4EPOLB
SCHEMBL19087147 0.80 SIGMAR1 (0.45) RENSIGMAR1KDM4EPOLBTUBB1
SCHEMBL16930273 0.78 SIGMAR1 (0.55) RENSIGMAR1KDM4E
SCHEMBL22899046 0.78 ALOX15 (0.55) RENALOX15ALOX12
SCHEMBL21066487 0.78 SIGMAR1 (0.55) RENSIGMAR1KDM4E
SCHEMBL30472720 0.78 SIGMAR1 (0.55) RENSIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017016960-A1 PROCESS FOR THE PREPARATION OF (6S)-6-ALKYL-10-ALKOXY-9-(SUBSTITUTED ALKOXY)-2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID ANALOGUES F. HOFFMANN-LA ROCHE AG (CH) 2017-02-02 WO disclosed