SCHEMBL10548652

SCHEMBL10548652

CCCCCCCCCCc1ccc(C(=O)Oc2ccc(-c3ncc(CCCCCC)cn3)c(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RARB P10826 5/20 0.52
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
THRB P10828 5/20 0.43
THRA P10827 2/20 0.43
PLA2G4A P47712 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RARA P10276 1/20 0.41

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
SCHEMBL10553477 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBPRSS1ACR
SCHEMBL10551945 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBPRSS1ACR
SCHEMBL10550983 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBPRSS1ACR
SCHEMBL10554182 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBPRSS1ACR
SCHEMBL10550450 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBPRSS1ACR
SCHEMBL10552120 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBPRSS1ACR
SCHEMBL10548988 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBPRSS1ACR
SCHEMBL10552092 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBPRSS1ACR
SCHEMBL10555251 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBPRSS1ACR
SCHEMBL10553180 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBPRSS1ACR

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-4820839-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-11 US disclosed