SCHEMBL9512446

SCHEMBL9512446

CCCCCc1ccc(-c2ccc(C#Cc3ccc(OCC)cc3)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.51
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACACB O00763 7/20 0.43
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41

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
SCHEMBL9510170 0.99 RARB (0.53) RARBMAPTRAB9AL3MBTL1TSHR
SCHEMBL9511505 0.99 RARB (0.53) RARBMAPTRAB9AL3MBTL1TSHR
SCHEMBL9509387 0.96 RARB (0.46) RARBMAPTRAB9AL3MBTL1TSHR
SCHEMBL9512515 0.94 RARB (0.52) RARBMAPTRAB9AL3MBTL1TSHR
SCHEMBL9511349 0.93 RARB (0.54) RARBMAPTRAB9AL3MBTL1TSHR
SCHEMBL9512222 0.93 RARB (0.54) RARBMAPTRAB9AL3MBTL1TSHR
SCHEMBL9509246 0.93 RARB (0.54) RARBMAPTRAB9AL3MBTL1TSHR
SCHEMBL9510183 0.92 RARB (0.56) RARBMAPTRAB9AL3MBTL1TSHR
SCHEMBL9511302 0.92 RARB (0.56) RARBMAPTRAB9AL3MBTL1TSHR
SCHEMBL9508714 0.92 RARB (0.50) RARBMAPTRAB9AL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed