SCHEMBL5804284

SCHEMBL5804284

COc1ccc(C(C)CNC(=O)CCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 6/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
RAB9A P51151 2/20 0.45
CNR2 P34972 2/20 0.45
NPC1 O15118 1/20 0.45
ACACB O00763 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL9512709 0.83 MTNR1A (0.67) MEN1KMT2AALDH1A1SMN1; SMN2MTNR1A
SCHEMBL13898948 0.78 ALDH1A1 (0.63) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL5807728 0.76 NPSR1 (0.41) ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL5051934 0.75 KMT2A (0.56) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5805852 0.75 PKM (0.47) ALDH1A1HPGDSMN1; SMN2HTTPOLB
SCHEMBL9883155 0.75 AOC3 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MTNR1A
SCHEMBL4774977 0.75 CNR2 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL3845087 0.74 ALDH1A1 (0.68) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL17754960 0.74 RAB9A (0.51) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL11441525 0.73 SMN1; SMN2 (0.71) MEN1KMT2AALDH1A1HPGDSMN1; SMN2

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-2006070285-A2 ENZYMATIC PREPARATION OF AN INTERMEDIATE COMPOUND FOR THE SYNTHESIS OF TAMSULOSIN QUIMICA SINTETICA, S.A. (ES) 2006-07-06 WO disclosed