SCHEMBL7714818

SCHEMBL7714818

COc1ccc(C(O)C#C[Si](C)(C)C)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
WDR5 P61964 1/20 0.33
NFKB1 P19838 1/20 0.33
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32

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
SCHEMBL7712862 0.83 THRA (0.38) ALDH1A1GAALMNAHPGD
SCHEMBL7715034 0.81 THRA (0.46) ALDH1A1HPGD
SCHEMBL7717696 0.80 RARA (0.42) RARARARBRARGALDH1A1GAA
SCHEMBL7713101 0.76 RARB (0.52) RARARARBRARGLMNAWDR5
SCHEMBL7709247 0.75 RARA (0.43) RARARARBRARGALDH1A1LMNA
SCHEMBL8681589 0.74 RARA (0.42) RARARARBRARGALDH1A1GAA
SCHEMBL8681592 0.74 RARA (0.44) RARARARBRARGALDH1A1CYP3A4
SCHEMBL9885327 0.72 HDAC4 (0.44) RARARARBRARGALDH1A1GAA
SCHEMBL2803495 0.71 AOC3 (0.47) ACHE
SCHEMBL9184968 0.71 ALDH1A1 (0.43) RARARARBRARGALDH1A1GAA

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-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
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