SCHEMBL7752269

SCHEMBL7752269

CCOC(OC)Oc1cc2c(cc1C=O)C(C)(C)CCC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.35
HNF4A P41235 4/20 0.35
RXRB P28702 4/20 0.33
RXRG P48443 4/20 0.33
RARA P10276 3/20 0.33
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 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
SCHEMBL6033476 0.80 RXRA (0.34) RXRAHNF4ARXRBRXRGRARA
SCHEMBL8695022 0.77 HDAC11 (0.33) RARARARBRARGKDM4EALDH1A1
SCHEMBL4998791 0.76 ALDH1A1 (0.47) KDM4EALDH1A1LMNA
SCHEMBL7713216 0.76 ALDH1A1 (0.55) RXRARXRBRXRGRARARARB
SCHEMBL8810710 0.75 RXRA (0.36) RXRAHNF4ARXRBRXRGRARA
SCHEMBL7752265 0.74 RXRA (0.33) RXRAHNF4ARXRBRXRGRARA
SCHEMBL7751080 0.73 HNF4A (0.36) RXRAHNF4ARXRBRXRGRARA
SCHEMBL8572258 0.73 ALDH1A1 (0.38) RARARARBRARGKDM4EALDH1A1
SCHEMBL7213482 0.72 RXRA (0.48) RXRAHNF4ARXRBRXRGRARA
SCHEMBL6033025 0.72 RXRA (0.30) RXRAHNF4A

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 5 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
EP-0832057-A1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-04-01 EP disclosed
WO-1997033856-A1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 WO disclosed