SCHEMBL9855788

SCHEMBL9855788

CCCCCCCOc1ccc(C2(C(=O)O)CCC(C#N)(CCCCCCC)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.46
PLA2G4B P0C869 7/20 0.45
RARB P10826 3/20 0.43
PLA2G4A P47712 1/20 0.42
SPHK1 Q9NYA1 1/20 0.41
TET3 O43151 1/20 0.41
FBXL19 Q6PCT2 1/20 0.41
CXXC5 Q7LFL8 1/20 0.41
TET1 Q8NFU7 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
CXXC4 Q9H2H0 1/20 0.41
KDM2A Q9Y2K7 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
SCHEMBL9855954 0.84 MEN1 (0.43) KMT2AMEN1TSHRRARBSPHK1
SCHEMBL2636679 0.83 KMT2A (0.88) KMT2AMEN1TSHRTP53PLA2G4B
SCHEMBL9855784 0.77 S1PR5 (0.43) TSHRTP53PLA2G4B
SCHEMBL9648524 0.76 S1PR5 (0.41) KMT2ATSHRTP53PLA2G4B
SCHEMBL9648515 0.76 S1PR5 (0.41) KMT2ATSHRTP53PLA2G4B
SCHEMBL9646244 0.76 S1PR5 (0.41) KMT2ATSHRTP53PLA2G4B
SCHEMBL9648505 0.76 S1PR5 (0.41) KMT2ATSHRTP53PLA2G4B
SCHEMBL9646236 0.76 S1PR5 (0.41) KMT2ATSHRTP53PLA2G4B
SCHEMBL9646227 0.76 S1PR5 (0.41) KMT2ATSHRTP53PLA2G4B
SCHEMBL9436215 0.75 TP53 (0.46) TSHRTP53PLA2G4BRARBSPHK1

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-5075032-A Electrooptics, switches, displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-12-24 US disclosed
US-4886620-A Smectic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-12-12 US disclosed