SCHEMBL9842583

SCHEMBL9842583

CCCCCc1ccc(C(=O)Oc2ccc(CCC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.61
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
THRA P10827 3/20 0.58
RARB P10826 5/20 0.54
KMT2A Q03164 2/20 0.54
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PRSS1 P07477 1/20 0.53
ACR P10323 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RARA P10276 1/20 0.53

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
SCHEMBL3612308 1.00 THRB (0.61) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL8377166 0.98 THRB (0.61) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL7079660 0.97 THRB (0.65) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL3621652 0.97 THRB (0.65) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL11549400 0.96 MAPT (0.63) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL12736307 0.96 MAPT (0.63) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL11549560 0.96 MAPT (0.63) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL11551143 0.96 MAPT (0.63) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL9342490 0.95 THRB (0.64) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL9341873 0.95 THRB (0.64) THRBMAPTSMN1; SMN2THRARARB

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
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed