SCHEMBL11266718

SCHEMBL11266718

CCCCCc1ccc(OC(=O)c2ccc(C3OCC(CCC)CO3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.48
THRA P10827 4/20 0.48
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
BCHE P06276 1/20 0.41
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
RARB P10826 5/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RARA P10276 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL11261251 0.99 THRB (0.50) THRBTHRAMAPTSMN1; SMN2BCHE
SCHEMBL11459835 0.93 THRB (0.47) THRBTHRAMAPTSMN1; SMN2BCHE
SCHEMBL11265379 0.93 THRB (0.44) THRBTHRAMAPTSMN1; SMN2BCHE
SCHEMBL11469321 0.93 THRB (0.44) THRBTHRAMAPTSMN1; SMN2BCHE
SCHEMBL9148652 0.89 MAPT (0.39) THRBTHRAMAPTSMN1; SMN2BCHE
SCHEMBL10614172 0.84 THRB (0.43) THRBTHRAMAPTSMN1; SMN2BCHE
SCHEMBL10588486 0.84 KMT2A (0.40) THRBMAPTSMN1; SMN2BCHENPC1
SCHEMBL10588481 0.84 KMT2A (0.40) THRBMAPTSMN1; SMN2BCHENPC1
SCHEMBL10776818 0.83 THRB (0.45) THRBTHRAMAPTSMN1; SMN2BCHE
SCHEMBL10775398 0.83 THRB (0.45) THRBTHRAMAPTSMN1; SMN2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4356104-A LIQUID CRYSTALS, ELECTROOPTICAL DISPLAY TIMEX CORPORATION (US) 1982-10-26 US disclosed
US-4313878-A LIQUID CRYSTALS TIMEX CORPORATION (US) 1982-02-02 US disclosed