SCHEMBL8647751

SCHEMBL8647751

COc1ccc(CC=CCS(=O)(=O)c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
RARA P10276 4/20 0.42
RARB P10826 3/20 0.42
RARG P13631 3/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
HSPD1 P10809 1/20 0.41
GOT1 P17174 1/20 0.41
GLRA1 P23415 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC11 Q96DB2 2/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL8649448 0.86 KMT2A (0.33) S1PR1RARARARBRARGKMT2A
SCHEMBL7681526 0.79 RARA (0.58) S1PR1RARARARBRARGKMT2A
SCHEMBL7681531 0.79 RARA (0.58) S1PR1RARARARBRARGKMT2A
SCHEMBL7689501 0.79 S1PR1 (0.51) S1PR1RARARARBRARGKMT2A
SCHEMBL8649934 0.78 S1PR1 (0.47) S1PR1RARARARBRARGKMT2A
SCHEMBL7691658 0.77 HDAC11 (0.48) S1PR1RARARARBRARGKMT2A
SCHEMBL8690503 0.77 RARA (0.48) S1PR1RARARARBRARGKMT2A
SCHEMBL8690499 0.76 RARA (0.48) S1PR1RARARARBRARGKMT2A
SCHEMBL8651224 0.74 RARA (0.52) S1PR1RARARARBRARGKMT2A
SCHEMBL8428663 0.74 RARA (0.58) S1PR1RARARARBRARGKMT2A

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