SCHEMBL8967700

SCHEMBL8967700

CC(C=CC1C(F)C1c1ccc(Cl)c(Cl)c1)=CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
RXRA P19793 10/20 0.36
RARB P10826 5/20 0.36
RARG P13631 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXRB P28702 4/20 0.34
RXRG P48443 4/20 0.34
RARA P10276 2/20 0.34
PPARG P37231 1/20 0.34
PKM P14618 1/20 0.33
HTT P42858 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
SCHEMBL8967739 0.89 NPSR1 (0.36) SLC6A4SLC6A2SLC6A3
SCHEMBL9258443 0.82 RXRA (0.36) RXRARARBRARGALDH1A1MAPT
SCHEMBL9580493 0.81 HPGD (0.41) SLC6A4SLC6A2SLC6A3ALDH1A1POLB
SCHEMBL9580479 0.81 PYGL (0.32) SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL9255677 0.81 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL8967113 0.77 RXRA (0.50) SLC6A4SLC6A2SLC6A3RXRARARB
SCHEMBL8967126 0.77 RXRA (0.50) SLC6A4SLC6A2SLC6A3RXRARARB
SCHEMBL8967106 0.77 RXRA (0.50) SLC6A4SLC6A2SLC6A3RXRARARB
SCHEMBL9452367 0.77 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3
SCHEMBL8967144 0.75

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 2 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