SCHEMBL7715034

SCHEMBL7715034

CCCCCCOc1ccc(C(O)C#C[Si](C)(C)C)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
BLK P51451 1/20 0.39
RPS6KA3 P51812 1/20 0.39
JAK3 P52333 1/20 0.39
LIMK1 P53667 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39

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 0.93 THRA (0.38) THRATHRBALDH1A1HPGD
SCHEMBL7715241 0.83 THRA (0.49) THRATHRBCHUKDAPK3JAK2
SCHEMBL7714818 0.81 RARA (0.39) ALDH1A1HPGD
SCHEMBL8606595 0.80 THRA (0.50) THRATHRBALDH1A1HPGD
SCHEMBL7715138 0.78 THRA (0.48) THRATHRBALDH1A1HPGD
SCHEMBL7714825 0.75 THRA (0.40) THRATHRBALDH1A1
SCHEMBL9699752 0.73 THRA (0.56) THRATHRBS1PR1ALDH1A1CYSLTR2
SCHEMBL9698507 0.73 THRA (0.56) THRATHRBS1PR1ALDH1A1CYSLTR2
SCHEMBL224388 0.73 THRA (0.56) THRATHRBS1PR1ALDH1A1CYSLTR2
SCHEMBL7717609 0.73 PTGDR2 (0.56) THRATHRBS1PR1HPGDCYSLTR2

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