SCHEMBL8539852

SCHEMBL8539852

COc1ccccc1SC(=O)CC(=O)Sc1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.54
MTNR1B P49286 3/20 0.54
POLB P06746 3/20 0.49
CTSD P07339 1/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.46
HSD17B10 Q99714 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43

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
SCHEMBL10509697 0.81 CA1 (0.53) MTNR1AMTNR1BPOLBCTSDNPC1
SCHEMBL11692061 0.79 MTNR1A (0.47) MTNR1AMTNR1BPOLBCTSDNPC1
SCHEMBL6021805 0.76 MTNR1A (0.45) MTNR1AMTNR1BPOLBCTSDNPC1
SCHEMBL11758771 0.75 MTNR1A (0.51) MTNR1AMTNR1BPOLBNPC1MEN1
SCHEMBL8536457 0.75 MAPT (0.42) NPC1RAB9ATSHRSMN1; SMN2MAPT
SCHEMBL30529998 0.74 KMT2A (0.44) MTNR1AMTNR1BPOLBMEN1KMT2A
SCHEMBL7455045 0.74 HTT (0.44) MTNR1AMTNR1BPOLBCTSDNPC1
SCHEMBL12470556 0.74 MTNR1A (0.61) MTNR1AMTNR1BPOLBMEN1RAB9A
SCHEMBL8538646 0.73 ACHE (0.50) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL806075 0.73 MTNR1A (0.60) MTNR1AMTNR1BPOLBHSD17B10SMN1; 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
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed