SCHEMBL8649934

SCHEMBL8649934

COc1ccc(C/C=C/C=O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.47
HDAC11 Q96DB2 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RARA P10276 3/20 0.46
RARB P10826 3/20 0.46
RARG P13631 3/20 0.46
HDAC2 Q92769 1/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NR1I2 O75469 1/20 0.45
PGR P06401 1/20 0.45
HSPD1 P10809 1/20 0.45
GOT1 P17174 1/20 0.45
GLRA1 P23415 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL7689501 0.89 S1PR1 (0.51) S1PR1HDAC11HDAC1HDAC7HDAC8
SCHEMBL8651198 0.87 HDAC11 (0.39) S1PR1HDAC11HDAC1HDAC7HDAC8
SCHEMBL8647515 0.83 S1PR1 (0.35) S1PR1HDAC11HDAC1HDAC7HDAC8
SCHEMBL8651224 0.79 RARA (0.52) S1PR1HDAC11HDAC1HDAC7HDAC8
SCHEMBL8647751 0.78 S1PR1 (0.44) S1PR1HDAC11HDAC1HDAC7HDAC8
SCHEMBL9123144 0.78 S1PR1 (0.53) S1PR1HDAC11HDAC1HDAC7HDAC8
SCHEMBL3318535 0.78 S1PR1 (0.53) S1PR1HDAC11HDAC1HDAC7HDAC8
SCHEMBL8693853 0.78 S1PR1 (0.50) S1PR1HDAC11HDAC1HDAC7HDAC8
SCHEMBL8690503 0.77 RARA (0.48) S1PR1HDAC11HDAC1HDAC7HDAC8
SCHEMBL9350549 0.77 S1PR1 (0.50) S1PR1HDAC11HDAC1HDAC7HDAC8

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