SCHEMBL8574176

SCHEMBL8574176

COC(C)OCOc1ccc(C(C#Cc2ccccc2)OC(C)=O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.38
IKBKB O14920 4/20 0.38
RARB P10826 4/20 0.34
RARG P13631 4/20 0.34
S1PR1 P21453 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 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 3/20 0.32
HDAC2 Q92769 1/20 0.30
CASP1 P29466 1/20 0.30
CASP3 P42574 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
SCHEMBL8574172 0.84 RARA (0.34) RARAIKBKBRARBRARGS1PR1
SCHEMBL8428556 0.81 IKBKB (0.48) RARAIKBKBRARBRARGS1PR1
SCHEMBL8616383 0.78 S1PR1 (0.41) RARAIKBKBRARBRARGS1PR1
SCHEMBL8617706 0.77 RARA (0.51) RARAIKBKBRARBRARGS1PR1
SCHEMBL9090664 0.77 RARA (0.43) RARAIKBKBRARBRARGS1PR1
SCHEMBL8575207 0.77 RARA (0.37) RARAIKBKBRARBRARGS1PR1
SCHEMBL8621482 0.76 S1PR1 (0.41) RARAIKBKBRARBRARGS1PR1
SCHEMBL8575216 0.76 IKBKB (0.34) RARAIKBKBS1PR1MEN1KMT2A
SCHEMBL8573235 0.76 RARA (0.41) RARAIKBKBRARBRARGS1PR1
SCHEMBL5888166 0.76 RARA (0.55) RARAIKBKBRARBRARGS1PR1

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