SCHEMBL9249909

SCHEMBL9249909

CC(/C=C/C=C(\c1ccc2cccccc1-2)C(F)(F)F)=C\C#N

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 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
SCHEMBL9249915 1.00 RXRA (0.31) RXRAPPARGCTSLCTSBCTSS
SCHEMBL9249216 0.83 RXRA (0.34) RXRAPPARG
SCHEMBL9249226 0.83 RXRA (0.34) RXRAPPARG
SCHEMBL9244918 0.72 BCAT2 (0.40) —
SCHEMBL9244924 0.72 BCAT2 (0.40) —
SCHEMBL9247720 0.72 BACE1 (0.34) —
SCHEMBL9425898 0.72 BACE1 (0.34) —
SCHEMBL13674402 0.69 TACR1 (0.33) —
SCHEMBL12510595 0.66 RXRA (0.34) RXRAPPARG
SCHEMBL28602884 0.65 BCAT2 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588915-A4 AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS. UNIV HAWAII (US) 1995-05-31 — — EP disclosed
EP-0588915-A1 AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITY OF HAWAII (US) 1994-03-30 — — EP disclosed
US-5235076-A Anticarcinogenic agents UNIVERSITY OF HAWAII (US) 1993-08-10 — — US disclosed
WO-1992021643-A1 AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITY OF HAWAII (US) 1992-12-10 — — WO disclosed
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