SCHEMBL11469321

SCHEMBL11469321

CCCCc1ccc(C(=O)Oc2ccc(C3OCC(CCCC)CO3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.44
THRA P10827 2/20 0.44
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
KMT2A Q03164 2/20 0.39
PPARA Q07869 3/20 0.39
BCHE P06276 1/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
RARB P10826 1/20 0.38
PLK1 P53350 1/20 0.38
NFKB1 P19838 1/20 0.37

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
SCHEMBL11265379 1.00 THRB (0.44) THRBTHRAMAPTSMN1; SMN2PRSS1
SCHEMBL11459835 0.96 THRB (0.47) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL11266718 0.93 THRB (0.48) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL11261251 0.92 THRB (0.50) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL11249685 0.88 KMT2A (0.41) MAPTSMN1; SMN2PRSS1ACRKMT2A
SCHEMBL13367301 0.85 MGLL (0.44) MAPTSMN1; SMN2PRSS1ACRKMT2A
SCHEMBL10588486 0.84 KMT2A (0.40) THRBMAPTSMN1; SMN2PRSS1ACR
SCHEMBL10588481 0.84 KMT2A (0.40) THRBMAPTSMN1; SMN2PRSS1ACR
SCHEMBL9659436 0.84 NPC1 (0.55) THRBTHRAMAPTSMN1; SMN2PRSS1
SCHEMBL9660630 0.84 NPC1 (0.55) THRBTHRAMAPTSMN1; SMN2PRSS1

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
US-4200580-A Dioxanylphenyl benzoate liquid crystal compounds TIMEX CORPORATION (US) 1980-04-29 US disclosed