SCHEMBL8646307

SCHEMBL8646307

CC=CC=CC(C)=C(C(=O)O)c1ccc(OCOC(C)OC)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.45
IKBKB O14920 5/20 0.45
RARB P10826 6/20 0.44
RARG P13631 6/20 0.44
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
HSPD1 P10809 1/20 0.39
GOT1 P17174 1/20 0.39
GLRA1 P23415 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL8647510 0.86 RARA (0.58) RARAIKBKBRARBRARGMEN1
SCHEMBL8648430 0.84 RARA (0.47) RARAIKBKBRARBRARGMEN1
SCHEMBL8646306 0.83 RARA (0.44) RARAIKBKBRARBRARGMEN1
SCHEMBL5888296 0.82 RARA (0.48) RARAIKBKBRARBRARGMEN1
SCHEMBL5888166 0.82 RARA (0.55) RARAIKBKBRARBRARGMEN1
SCHEMBL8694753 0.80 RARA (0.48) RARAIKBKBRARBRARGMEN1
SCHEMBL8650401 0.79 RARB (0.44) RARAIKBKBRARBRARGMEN1
SCHEMBL8647535 0.79 RARA (0.55) RARAIKBKBRARBRARGMEN1
SCHEMBL8647521 0.79 RARA (0.45) RARAIKBKBRARBRARGMEN1
SCHEMBL7683402 0.78 RARG (0.46) RARAIKBKBRARBRARGMEN1

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-5705167-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-06 US claimed
US-5705167-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-06 US disclosed