SCHEMBL9852786

SCHEMBL9852786

O=CCCc1scc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.34
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ERN1 O75460 1/20 0.30

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
SCHEMBL28658077 0.82 KDM4E (0.35) MAPT
SCHEMBL7660795 0.81 CYP2A6 (0.36) CYP2A6NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8186459 0.81 KMT2A (0.36) CYP2A6MAPT
SCHEMBL5544270 0.79 CYP2A6 (0.33) CYP2A6L3MBTL1
SCHEMBL8192441 0.77 ADH1B (0.44) CYP2A6NPC1SMN1; SMN2
SCHEMBL5544459 0.77 GAA (0.33) CYP2A6L3MBTL1
SCHEMBL5536213 0.76 GAA (0.32) CYP2A6L3MBTL1
SCHEMBL5537190 0.75 CYP2A6 (0.34) CYP2A6NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9852782 0.75
SCHEMBL5540452 0.74 GAA (0.31) L3MBTL1

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
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed