SCHEMBL3720686

SCHEMBL3720686

CN(C)CCCOc1ccc(O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
HRH3 Q9Y5N1 4/20 0.53
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
LSS P48449 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL17912821 0.83 LTA4H (0.50) KDM4EALDH1A1SMN1; SMN2THRATHRB
SCHEMBL13744509 0.82 DRD2 (0.55) KDM4EHRH3ALDH1A1SMN1; SMN2THRA
SCHEMBL26417385 0.81 KDM4E (0.53) KDM4EHRH3ALDH1A1SMN1; SMN2THRB
SCHEMBL3717444 0.80 LTA4H (0.50) KDM4EALDH1A1THRATHRBKMT2A
SCHEMBL9699878 0.79 NR5A1 (0.59) THRATHRB
SCHEMBL9697687 0.79 NR5A1 (0.59) THRATHRB
SCHEMBL9697405 0.79 NR5A1 (0.59) THRATHRB
SCHEMBL27501496 0.79 FFAR1 (0.50) KDM4EALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL9736630 0.79 NR5A1 (0.59) THRATHRB
SCHEMBL28758417 0.78 KDR (0.47) KDM4EALDH1A1SMN1; SMN2TDP1

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed