SCHEMBL13680645

SCHEMBL13680645

CC(=S)c1ccc(-c2cccc(C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.51
HSD17B1 P14061 2/20 0.51
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
ENPP3 O14638 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RAB9A P51151 1/20 0.42
DHODH Q02127 1/20 0.41
ACHE P22303 1/20 0.41
PGR P06401 1/20 0.41
CNR2 P34972 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
HDAC2 Q92769 1/20 0.40
IDO1 P14902 1/20 0.40
METAP2 P50579 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CSF1R P07333 1/20 0.39

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
SCHEMBL13680641 0.83 HSD17B1 (0.50) HSD17B2HSD17B1MAPTPOLBCTDSP1
SCHEMBL6561397 0.81 ACHE (0.61) HSD17B2HSD17B1POLBENPP3RAB9A
SCHEMBL4428711 0.81 MAPT (0.64) HSD17B2HSD17B1MAPTPOLBCTDSP1
SCHEMBL13680640 0.80 HSD17B2 (0.48) HSD17B2HSD17B1MAPTPOLBCTDSP1
SCHEMBL13680639 0.80 HSD17B2 (0.55) HSD17B2HSD17B1MAPTPOLBCTDSP1
SCHEMBL3656317 0.79 SMN1; SMN2 (0.60) MAPTCTDSP1RAB9ASMN1; SMN2KDM4E
SCHEMBL13681333 0.79 HSD17B2 (0.50) HSD17B2HSD17B1MAPTPOLBCTDSP1
SCHEMBL18797759 0.78 ACHE (0.65) HSD17B2HSD17B1ENPP3RAB9AACHE
SCHEMBL9528530 0.77 PARP1 (0.54) POLBHDAC8HDAC6RAB9AACHE
SCHEMBL31331712 0.77 RXRA (0.69) HSD17B2HSD17B1MAPTPOLBCTDSP1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed