SCHEMBL9716502

SCHEMBL9716502

COC(=O)CC(C)(C)CCc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
BRD4 O60885 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 5/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 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
SCHEMBL9716459 0.83 RIPK1 (0.49) RIPK1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4461404 0.79 SMN1; SMN2 (0.51) BRD4SMN1; SMN2NPC1RAB9APOLB
Hydrochloric Acid SCHEMBL8763040 0.78 SMN1; SMN2 (0.50) BRD4SMN1; SMN2NPC1RAB9APOLB
SCHEMBL2222434 0.76 SMN1; SMN2 (0.60) BRD4SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4956054 0.75 CA12 (0.50) NPC1RAB9APOLBLMNAMAPT
SCHEMBL6331207 0.75 SMN1; SMN2 (0.62) BRD4SMN1; SMN2NPC1RAB9APOLB
SCHEMBL6368689 0.75 RAB9A (0.38) BRD4SMN1; SMN2NPC1RAB9APOLB
SCHEMBL236205 0.74 HPGD (0.56) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL11792109 0.74 SMN1; SMN2 (0.61) BRD4SMN1; SMN2NPC1RAB9APOLB
SCHEMBL5167397 0.73 BRD4 (0.40) RIPK1BRD4SMN1; SMN2NPC1RAB9A

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-5175294-A For treatment of bone disorders ADIR ET COMPAGNIE (FR) 1992-12-29 US disclosed
US-5061704-A PATHOLOGIES INVOLVING LOSS OF BONE TISSUE ADIR ET COMPAGNIE (FR) 1991-10-29 US disclosed