SCHEMBL8765769

SCHEMBL8765769

CC(C)(C)[Si](C)(C)Oc1ccc(CCO)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
RARA P10276 4/20 0.34
RARB P10826 4/20 0.34
RARG P13631 4/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
PGR P06401 1/20 0.34
HSPD1 P10809 1/20 0.34
GOT1 P17174 1/20 0.34
GLRA1 P23415 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC11 Q96DB2 3/20 0.33
DRD2 P14416 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL6622319 0.88 RARB (0.39) RARARARBRARGSMN1; SMN2MEN1
SCHEMBL8766851 0.84 S1PR1 (0.37) S1PR1RARARARBRARGMEN1
SCHEMBL8651356 0.82 RARA (0.37) S1PR1RARARARBRARGMEN1
SCHEMBL8796839 0.81 PLA2G4A (0.42) S1PR1RARARARBRARGMEN1
SCHEMBL404791 0.80 HDAC11 (0.36) S1PR1RARARARBRARGMEN1
SCHEMBL5828203 0.79 RARA (0.35) S1PR1RARARARBRARGMEN1
SCHEMBL5828207 0.79 RARA (0.35) S1PR1RARARARBRARGMEN1
SCHEMBL9257313 0.78 PLA2G4A (0.41) S1PR1RARARARBRARGMEN1
SCHEMBL9258875 0.78 PLA2G4A (0.41) S1PR1RARARARBRARGMEN1
SCHEMBL8461452 0.78 RARA (0.45) S1PR1RARARARBRARGSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584191-B1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS CIRD GALDERMA (FR) 1997-08-13 EP disclosed
US-5547983-A Aromatic and polycyclic compounds and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1996-08-20 US disclosed
EP-0584191-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS. CIRD GALDERMA (FR) 1994-03-02 EP disclosed
WO-1992019583-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-11-12 WO disclosed