SCHEMBL7752265

SCHEMBL7752265

COC(C)OCOc1cc2c(cc1C=O)C(C)(C)CCC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.33
RXRB P28702 4/20 0.33
RXRG P48443 4/20 0.33
HNF4A P41235 5/20 0.33
TUBB1 Q9H4B7 1/20 0.32
POLA1 P09884 2/20 0.32
RARA P10276 5/20 0.31
RARB P10826 5/20 0.31
RARG P13631 5/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL8810710 0.84 RXRA (0.36) RXRARXRBRXRGHNF4ATUBB1
SCHEMBL6033474 0.80 RXRA (0.32) RXRAHNF4APPARG
SCHEMBL8428521 0.77 RARA (0.35) RARARARBRARGKDM4EALDH1A1
SCHEMBL4998800 0.76 ALDH1A1 (0.47) TUBB1KDM4EALDH1A1
SCHEMBL7713216 0.76 ALDH1A1 (0.55) RXRARXRBRXRGTUBB1POLA1
SCHEMBL7213482 0.75 RXRA (0.48) RXRARXRBRXRGHNF4ARARA
SCHEMBL3376912 0.75 ALDH1A1 (0.58) KDM4EALDH1A1
SCHEMBL7752269 0.74 RXRA (0.35) RXRARXRBRXRGHNF4ARARA
SCHEMBL8572254 0.73 TDP1 (0.38) RARARARBRARGKDM4EALDH1A1
SCHEMBL7207907 0.73 RXRA (0.47) RXRARXRBRXRGHNF4ARARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313162-B1 FOR USE IN HUMAN OR VETERINARY MEDICINE SUCH AS DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHHALMOLOGICAL DISORDERS; AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) GALDERMA (FR) 2001-11-06 US disclosed
EP-0832057-B1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CT INTERNAT DE (FR) 2001-01-03 EP disclosed
US-6046220-A ADMINISTERING TO THE PATIENT A PROPYNYL OR DIENYL BIAROMATIC COMPOUND TO TREAT A SKIN DISORDER, INFLAMMATORY CONDITIONS, VISION DEFECTS, ALOPECIA, CARDIOVASCULAR DISORDER, CANCER OR PRECANCER AND INSULIN DEPENDANT DIABETES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-04-04 US disclosed