SCHEMBL8649448

SCHEMBL8649448

CC(C)(C)[Si](C)(C)Oc1ccc(CC=CCS(=O)(=O)c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
S1PR1 P21453 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RARA P10276 3/20 0.31
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
PGR P06401 1/20 0.30
HSPD1 P10809 1/20 0.30
GOT1 P17174 1/20 0.30
GLRA1 P23415 1/20 0.30
BLM P54132 1/20 0.30
HSPE1 P61604 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8647751 0.86 S1PR1 (0.44) KMT2AS1PR1NPC1RAB9ASMN1; SMN2
SCHEMBL8766851 0.81 S1PR1 (0.37) KMT2AS1PR1RARARARBRARG
SCHEMBL7683460 0.81 RARA (0.44) KMT2ANPC1RAB9ASMN1; SMN2RARA
SCHEMBL7683467 0.80 HDAC11 (0.36) KMT2ARARARARBRARGMEN1
SCHEMBL8651356 0.78 RARA (0.37) KMT2AS1PR1RARARARBRARG
SCHEMBL6621729 0.74 HDAC11 (0.39) KMT2AS1PR1SMN1; SMN2RARARARB
SCHEMBL8765769 0.73 S1PR1 (0.37) KMT2AS1PR1SMN1; SMN2RARARARB
SCHEMBL8796839 0.71 PLA2G4A (0.42) KMT2AS1PR1RARARARBRARG
SCHEMBL13330393 0.71 HTT (0.35) KMT2ANPC1RAB9ASMN1; SMN2CNR2
SCHEMBL8766824 0.71 RARA (0.41) 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 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