SCHEMBL7714825

SCHEMBL7714825

C#CC(O)c1ccc(OCCC)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 9/20 0.37
ALDH1A1 P00352 9/20 0.37
MAPK1 P28482 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL7715241 0.92 THRA (0.49) THRATHRBKDM4EALDH1A1
SCHEMBL7712862 0.82 THRA (0.38) THRATHRBKDM4EALDH1A1MAPK1
SCHEMBL7717696 0.81 RARA (0.42) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL8611723 0.76 THRA (0.42) THRATHRBKDM4EALDH1A1TDP1
SCHEMBL7715034 0.75 THRA (0.46) THRATHRBALDH1A1
SCHEMBL7713192 0.74 THRA (0.41) THRATHRBKDM4EALDH1A1MAPK1
SCHEMBL9149513 0.73 ALDH1A1 (0.48) THRATHRBKDM4EALDH1A1MAPK1
SCHEMBL7202465 0.73 LTA4H (0.47) LMNAMEN1KMT2A
SCHEMBL2098385 0.72 RARA (0.39)
SCHEMBL278552 0.71 LMNA (0.42) THRATHRBKDM4EALDH1A1MAPK1

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-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 US disclosed
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed
EP-0661258-B1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CIRD GALDERMA (FR) 1998-04-08 EP disclosed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed
EP-0661258-A1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 EP disclosed