SCHEMBL8565817

SCHEMBL8565817

COc1cc(OC)c(C23CC4CC(CC(C4)C2)C3)cc1C#Cc1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.47
RARB P10826 3/20 0.47
RARG P13631 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
HSPD1 P10809 1/20 0.47
GOT1 P17174 1/20 0.47
GLRA1 P23415 1/20 0.47
BLM P54132 1/20 0.47
HSPE1 P61604 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CNR2 P34972 4/20 0.43
FAAH O00519 2/20 0.43
KDM4E B2RXH2 1/20 0.42
P2RX7 Q99572 1/20 0.41
HDAC11 Q96DB2 2/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL8567722 0.88 RARA (0.51) RARARARBRARGMEN1KMT2A
SCHEMBL8566494 0.86 RARA (0.38) RARARARBRARGMEN1KMT2A
SCHEMBL8617663 0.82 RARA (0.55) RARARARBRARGMEN1KMT2A
SCHEMBL8692128 0.82 RARA (0.48) RARARARBRARGMEN1KMT2A
SCHEMBL8690666 0.82 RARA (0.53) RARARARBRARGMEN1KMT2A
SCHEMBL8572741 0.82 CNR2 (0.48) RARARARBRARGMEN1KMT2A
SCHEMBL8565821 0.81 MEN1 (0.46) RARARARBRARGMEN1KMT2A
SCHEMBL8394354 0.81 CNR2 (0.43) RARARARBRARGMEN1KMT2A
SCHEMBL9122371 0.79 RARA (0.54) RARARARBRARGMEN1KMT2A
SCHEMBL8570419 0.78 RARA (0.44) RARARARBRARGMEN1KMT2A

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