SCHEMBL8570976

SCHEMBL8570976

COc1ccc(C#Cc2ccsc2C(=O)O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
RARA P10276 4/20 0.49
RARB P10826 3/20 0.49
RARG P13631 3/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
NR1I2 O75469 1/20 0.49
PGR P06401 1/20 0.49
HSPD1 P10809 1/20 0.49
GOT1 P17174 1/20 0.49
GLRA1 P23415 1/20 0.49
BLM P54132 1/20 0.49
HSPE1 P61604 1/20 0.49
HDAC11 Q96DB2 3/20 0.42
HDAC2 Q92769 1/20 0.42
S1PR1 P21453 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL8569797 0.86 RARA (0.46) KMT2ARARARARBRARGMEN1
SCHEMBL8616987 0.81 RARA (0.65) KMT2ARARARARBRARGMEN1
SCHEMBL8567722 0.81 RARA (0.51) KMT2ARARARARBRARGMEN1
SCHEMBL8571811 0.79 RARA (0.54) KMT2ARARARARBRARGMEN1
SCHEMBL6374496 0.79 RARA (0.51) KMT2ARARARARBRARGMEN1
SCHEMBL8619142 0.78 RARB (0.76) KMT2ARARARARBRARGMEN1
SCHEMBL8618895 0.76 ERN1 (0.44) KMT2ARARARARBRARGMEN1
SCHEMBL8572221 0.76 RARA (0.55) KMT2ARARARARBRARGMEN1
SCHEMBL8617663 0.75 RARA (0.55) KMT2ARARARARBRARGMEN1
SCHEMBL9251196 0.74 RARA (0.51) KMT2ARARARARBRARGMEN1

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