SCHEMBL6820284

SCHEMBL6820284

Cc1ccc2c(c1)CC(C)C1=CC(=O)CCN12

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 15/20 0.74
AADAT Q8N5Z0 1/20 0.41
ACHE P22303 1/20 0.40
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6819781 0.85 SRD5A1 (1.00) SRD5A1AADATNOTUM
SCHEMBL6820470 0.82 SRD5A1 (0.67) SRD5A1ACHENOTUMALDH1A1
SCHEMBL6820238 0.77 SRD5A1 (0.62) SRD5A1
SCHEMBL6820080 0.76 SRD5A1 (0.77) SRD5A1AADATACHE
SCHEMBL6820263 0.74 SRD5A1 (1.00) SRD5A1NOTUMALDH1A1KDM4E
SCHEMBL6820079 0.73 SRD5A1 (1.00) SRD5A1ACHEKDM4E
SCHEMBL24893215 0.67 SRD5A1 (0.64) SRD5A1NOTUMALDH1A1KDM4E
SCHEMBL6819931 0.65 SRD5A1 (0.63) SRD5A1
SCHEMBL21391490 0.63 SRD5A1 (0.54) SRD5A1NOTUMALDH1A1KDM4E
SCHEMBL6820055 0.63 SRD5A1 (1.00) SRD5A1NOTUM

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-1102765-B1 PROCESS FOR THE SYNTHESIS OF (1$i(H))-BENZO C]QUINOLIZIN-3-ONES DERIVATIVES APPLIED RESEARCH SYSTEMS (AN) 2003-09-17 EP claimed
US-6723850-B1 N-ALKYLATION OF THE THIOAMIDE WITH A VINYL KETONE IN PRESENCE OF A STRONG BASE; 6-CHLORO-(1H)-3,4-DIHYDROQUINOLIN-2-THIONE REACTED WITH ETHYL VINYL KETONE APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-04-20 US disclosed
EP-1102765-B1 PROCESS FOR THE SYNTHESIS OF (1$i(H))-BENZO C]QUINOLIZIN-3-ONES DERIVATIVES APPLIED RESEARCH SYSTEMS (AN) 2003-09-17 EP disclosed