SCHEMBL8776417

SCHEMBL8776417

CC(=Cc1ccc(C(=O)O)cc1)C1=CSC=C(C2=CC=CCC2)S1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RARG P13631 19/20 0.36
RARB P10826 18/20 0.36
RARA P10276 15/20 0.36
RXRA P19793 7/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CYP26A1 O43174 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 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
SCHEMBL8522823 0.70 RARG (0.37) ALDH1A1POLBGLATDP1L3MBTL1
SCHEMBL901112 0.64 ALDH1A1 (0.68) ALDH1A1POLBGLATDP1L3MBTL1
SCHEMBL901113 0.64 ALDH1A1 (0.68) ALDH1A1POLBGLATDP1L3MBTL1
SCHEMBL7559528 0.59 ALDH1A1 (0.70) ALDH1A1POLBGLATDP1L3MBTL1
SCHEMBL901029 0.59 ESR1 (0.78) ALDH1A1POLBGLATDP1L3MBTL1
SCHEMBL901098 0.59 ESR1 (0.78) ALDH1A1POLBGLATDP1L3MBTL1
SCHEMBL901099 0.59 ESR1 (0.78) ALDH1A1POLBGLATDP1L3MBTL1
SCHEMBL901031 0.59 ESR1 (0.78) ALDH1A1POLBGLATDP1L3MBTL1
SCHEMBL9418973 0.58 RARG (0.56) ALDH1A1POLBRARGRARBRARA
SCHEMBL9418978 0.58 RARG (0.56) ALDH1A1POLBRARGRARBRARA

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-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed