SCHEMBL11041290

SCHEMBL11041290

CCCCCc1ccc(-c2ccc(C(=O)OCCC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.65
ALDH1A1 P00352 3/20 0.63
MAPT P10636 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
RARA P10276 1/20 0.63
MTOR P42345 1/20 0.63
TSHR P16473 3/20 0.57
ESR1 P03372 2/20 0.57
CHRM1 P11229 1/20 0.57
SLC6A2 P23975 1/20 0.57
KDR P35968 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
MAPK1 P28482 1/20 0.54
NR1H2 P55055 1/20 0.54
RNASEL Q05823 1/20 0.54

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
SCHEMBL11037097 0.98 RARB (0.66) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL11038862 0.98 RARB (0.66) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL10989899 0.94 ALDH1A1 (0.60) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL18856299 0.94 ALDH1A1 (0.60) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL10985399 0.94 ALDH1A1 (0.60) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL11039815 0.93 RARB (0.66) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL11037712 0.93 RARB (0.66) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL11039096 0.93 RARB (0.66) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL11043296 0.91 RARB (0.62) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL10947673 0.91 ALDH1A1 (0.64) RARBALDH1A1MAPTKMT2ATSHR

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-0118046-A1 Liquid crystal compounds, liquid crystal compositions and liquid crystal display devices HITACHI, LTD. (JP) 1984-09-12 EP disclosed