SCHEMBL9668317

SCHEMBL9668317

CC(C)OC(=O)NCCOc1ccc(Oc2cccc(Cl)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 2/20 0.58
MAPK1 P28482 2/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
FAAH O00519 1/20 0.49
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
KLKB1 P03952 1/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 3/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9161447 0.89 HTT (0.54) HTTSMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL9665380 0.88 FAAH (0.53) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11303314 0.88 NPC1 (0.53) HTTSMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL8966413 0.85 FAAH (0.53) HTTKMT2ATSHRMAPK1MEN1
SCHEMBL9668206 0.84 FAAH (0.55) HTTSMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL8966388 0.83 DRD2 (0.55) SMN1; SMN2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL9158377 0.82 SMN1; SMN2 (0.50) HTTSMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL9547840 0.82 FAAH (0.45) HTTSMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL9165356 0.81 TSHR (0.45) HTTSMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL9633817 0.80 SMN1; SMN2 (0.48) HTTSMN1; SMN2KMT2ATSHRMAPK1

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-5166153-A Insecticides or miticides CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed