SCHEMBL9706748

SCHEMBL9706748

CCOC(=O)C(C(=O)NC1CCCCC1)=C1SC=CS1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
RECQL P46063 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
EPHX1 P07099 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL9674380 0.92 HPGD (0.44) NPC1MAPTRAB9AALDH1A1MAPK1
SCHEMBL9675247 0.81 ADRA1A (0.62) NPC1MAPTRAB9AHPGDTSHR
SCHEMBL11412912 0.80 SMN1; SMN2 (0.57) NPC1MAPTRAB9AALDH1A1MAPK1
SCHEMBL9865762 0.80 SMN1; SMN2 (0.57) NPC1MAPTRAB9AALDH1A1MAPK1
SCHEMBL20827027 0.78 SMN1; SMN2 (0.54) NPC1MAPTRAB9AALDH1A1MAPK1
SCHEMBL9621031 0.78 ADRA1A (0.55) MAPTALDH1A1TSHRKDM4ELMNA
SCHEMBL24485231 0.75 MAPT (0.48) NPC1MAPTRAB9AALDH1A1MAPK1
SCHEMBL8531170 0.74 ADRA1A (0.46) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL11518690 0.72 EPHX1 (0.51) NPC1MAPTRAB9AALDH1A1MAPK1
SCHEMBL15294792 0.71 EGLN1 (0.47) NPC1MAPTRAB9AALDH1A1MAPK1

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-5158950-A Treatment of liver disorders YUHAN CORPORATION, LTD. (KR) 1992-10-27 US disclosed
EP-0298040-A1 1,3-Dithiol-2-ylidene derivatives YUHAN CORPORATION, LTD. (KR) 1989-01-04 EP disclosed