SCHEMBL8397886

SCHEMBL8397886

COCCOCOc1cc(C(=O)O)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.66
IKBKB O14920 5/20 0.66
RARG P13631 12/20 0.54
RARB P10826 5/20 0.50
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
PGR P06401 1/20 0.49
HSPD1 P10809 1/20 0.49
GOT1 P17174 1/20 0.49
GLRA1 P23415 1/20 0.49
BLM P54132 1/20 0.49
HSPE1 P61604 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL5888172 0.91 RARA (0.77) RARAIKBKBRARGRARBMEN1
SCHEMBL8399153 0.91 IKBKB (0.58) RARAIKBKBRARGRARBMEN1
SCHEMBL8394320 0.91 RARA (0.58) RARAIKBKBRARGRARBMEN1
SCHEMBL8432432 0.91 RARA (0.61) RARAIKBKBRARGRARBMEN1
SCHEMBL8431717 0.91 RARA (0.61) RARAIKBKBRARGRARBMEN1
SCHEMBL8434728 0.90 RARA (0.60) RARAIKBKBRARGRARBMEN1
SCHEMBL8433279 0.90 RARA (0.62) RARAIKBKBRARGRARBMEN1
SCHEMBL8436677 0.89 RARA (0.59) RARAIKBKBRARGRARBMEN1
SCHEMBL8433867 0.89 RARA (0.74) RARAIKBKBRARGRARBMEN1
SCHEMBL8431999 0.88 RARA (0.59) RARAIKBKBRARGRARBMEN1

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-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US disclosed