SCHEMBL8967697

SCHEMBL8967697

CC(C=C[C@]1(F)CC1c1ccc(Cl)c(Cl)c1)=CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.44
RARG P13631 7/20 0.44
RARB P10826 7/20 0.44
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
RXRB P28702 8/20 0.37
RXRG P48443 8/20 0.37
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RARA P10276 2/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL8967736 0.89 NPSR1 (0.38) RXRARARGRARBSLC6A4SLC6A2
SCHEMBL9400348 0.89 NPSR1 (0.38) RXRARARGRARBSLC6A4SLC6A2
SCHEMBL27364424 0.83 MMP1 (0.38) RXRARARGRARBSLC6A4SLC6A2
SCHEMBL9455450 0.83 MMP1 (0.38) RXRARARGRARBSLC6A4SLC6A2
SCHEMBL9515299 0.82 HPGD (0.40) RXRARARGRARBSLC6A4SLC6A2
SCHEMBL9515730 0.82 MEN1 (0.34) RXRARARGRARBSLC6A4SLC6A2
SCHEMBL9455335 0.81 MMP1 (0.36) ALDH1A1POLBMAPTKDM4E
SCHEMBL8967734 0.78 MAOB (0.32) SLC6A4SLC6A2SLC6A3
SCHEMBL8967117 0.78 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3
SCHEMBL9400367 0.78 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3

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-0553081-B1 PESTICIDES ROUSSEL UCLAF (FR) 1996-02-28 EP disclosed
US-5326755-A Contain cyclopropane ring ROUSSEL UCLAF 1994-07-05 US disclosed
EP-0553081-A1 PESTICIDES. ROUSSEL UCLAF (FR) 1993-08-04 EP disclosed
WO-1991016301-A1 PESTICIDES THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-31 WO disclosed