SCHEMBL8904036

SCHEMBL8904036

CCCCC([C]=O)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 2/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL678787 0.98 HRH3 (0.37) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL7290184 0.91 MAPT (0.36) MAPTL3MBTL1MAPK1NPSR1MEN1
SCHEMBL678969 0.86 SLC6A3 (0.38) SLC6A3SLC6A2
SCHEMBL9661910 0.81 SIGMAR1 (0.43) SLC6A2SIGMAR1
SCHEMBL7427732 0.79 FDPS (0.32) MAPTALDH1A1
SCHEMBL678404 0.77 SLC6A2 (0.30) SLC6A3SLC6A2
SCHEMBL9660844 0.77 SIGMAR1 (0.40) MAPTSLC6A2SIGMAR1
SCHEMBL6039362 0.76 FDPS (0.34)
SCHEMBL9661103 0.75 GNAO1 (0.40) MAPTSIGMAR1
SCHEMBL9661714 0.75 GNAO1 (0.40) MAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5610315-A Process for the preparation of 6,7-diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1997-03-11 US disclosed
US-5484954-A HEATING, DEACYLATING NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-01-16 US disclosed
US-5302730-A Acylation with acetic acid at positions one and seven; eliminating acyl group at position seven by solvolysis NIPPON KAYAKU KK (JP) 1994-04-12 US disclosed
EP-0297496-B1 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KK (JP) 1994-01-19 EP disclosed
US-5245052-A PROCESS FOR PRODUCING 6-ACYL-7-DEACETYLFORSKOLIN DERIVATIVES NIPPON KAYAKU CO. LTD. (JP) 1993-09-14 US disclosed
EP-0469428-A1 Novel process for producing 6-acyl-7-deacetylforskolin derivatives HOECHST JAPAN LIMITED (JP) 1992-02-05 EP disclosed
EP-0297496-A2 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1989-01-04 EP disclosed