SCHEMBL8574172

SCHEMBL8574172

CCOC(OC)Oc1ccc(C(C#Cc2ccccc2)OC(C)=O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.34
RARB P10826 4/20 0.34
RARG P13631 4/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
HSPD1 P10809 1/20 0.33
GOT1 P17174 1/20 0.33
GLRA1 P23415 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC11 Q96DB2 2/20 0.33
S1PR1 P21453 1/20 0.33
IKBKB O14920 2/20 0.32
HDAC2 Q92769 1/20 0.30

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
SCHEMBL8574176 0.84 RARA (0.38) RARARARBRARGLMNAMEN1
SCHEMBL8428549 0.81 RARA (0.43) RARARARBRARGLMNAMEN1
SCHEMBL8616385 0.78 S1PR1 (0.39) RARARARBRARGLMNAMEN1
SCHEMBL8690301 0.78 RARA (0.36) RARARARBRARGLMNAMEN1
SCHEMBL8617711 0.77 RARA (0.48) RARARARBRARGLMNAMEN1
SCHEMBL9090666 0.77 RARA (0.41) RARARARBRARGLMNAMEN1
SCHEMBL8621485 0.76 S1PR1 (0.39) RARARARBRARGLMNAMEN1
SCHEMBL8621132 0.76 S1PR1 (0.40) RARARARBRARGLMNAMEN1
SCHEMBL8568397 0.76 RARA (0.38) RARARARBRARGLMNAMEN1
SCHEMBL8574904 0.76 S1PR1 (0.35) RARARARBRARGLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US claimed