SCHEMBL9636346

SCHEMBL9636346

CCCCCCCCc1ccc(-c2nc(O)c(OC)c(O)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 7/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ RARA P10276 1/20 0.52
▸ MTOR P42345 1/20 0.52
▸ HSD17B10 Q99714 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ESR1 P03372 2/20 0.50
▸ ADRA2A P08913 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ TACR2 P21452 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL9850203 0.84 RARB (0.56) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL9637569 0.83 ALDH1A1 (0.50) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL12622274 0.81 ALDH1A1 (0.65) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL12622306 0.80 ALDH1A1 (0.63) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL13539888 0.79 ALDH1A1 (0.62) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL9357256 0.76 RARB (0.49) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL11976539 0.75 ALDH1A1 (0.58) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL12628223 0.75 HSD11B1 (0.62) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL11927622 0.75 ALDH1A1 (0.58) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL16615370 0.75 ALDH1A1 (0.58) RARBALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293764-B1 SMECTIC LIQUID CRYSTAL COMPOUND Chisso Corporation (JP) 1992-07-29 — — EP disclosed
EP-0293763-B1 SMECTIC LIQUID CRYSTAL MIXTURE CHISSO CORPORATION (JP) 1992-07-29 — — EP disclosed
US-4906400-A Smetic liquid crystal compound CHISSO CORPORATION (JP) 1990-03-06 — — US disclosed
US-4882083-A CONTAINING OPTICALLY ACTIVE COMPOUND; HIGH SPEED RESPONSE DISPLAY ELEMENT CHISSO CORPORATION (JP) 1989-11-21 — — US disclosed
EP-0293764-A2 Smectic liquid crystal compound Chisso Corporation (JP) 1988-12-07 — — EP disclosed
EP-0293763-A2 Smectic liquid crystal mixture CHISSO CORPORATION (JP) 1988-12-07 — — EP disclosed
Send feedback