SCHEMBL28432201

SCHEMBL28432201

CCCCCc1ccc(-c2ccc(B(O)O)c(CC)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.56
LPL P06858 5/20 0.56
TRPV1 Q8NER1 1/20 0.54
MGLL Q99685 1/20 0.54
RARB P10826 9/20 0.54
ALDH1A1 P00352 3/20 0.53
RARA P10276 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
MTOR P42345 1/20 0.53
KMT2A Q03164 1/20 0.53
RARG P13631 1/20 0.52
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL23631142 0.98 LIPG (0.57) LIPGLPLTRPV1MGLLRARB
SCHEMBL1533765 0.83 RARB (0.62) LIPGLPLTRPV1MGLLRARB
SCHEMBL29955233 0.83 RARB (0.62) LIPGLPLTRPV1MGLLRARB
SCHEMBL7781671 0.82 RARB (0.64) LIPGLPLTRPV1MGLLRARB
SCHEMBL29957265 0.82 RARB (0.64) LIPGLPLTRPV1MGLLRARB
SCHEMBL28434232 0.79 RARB (0.51) RARBALDH1A1RARAMEN1MAPT
SCHEMBL28432199 0.79 RARB (0.51) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807151 0.79 RARB (0.51) RARBALDH1A1RARAMEN1MAPT
SCHEMBL15829720 0.79 RARB (0.51) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807150 0.79 RARB (0.51) RARBALDH1A1RARAMEN1MAPT

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
CN-109082280-B Preparation method of liquid crystal material 宁夏中星显示材料有限公司 2020-07-28 CN disclosed