SCHEMBL9155342

SCHEMBL9155342

CCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCC)cc3F)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.51
RAB9A P51151 8/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 6/20 0.50
MAPT P10636 5/20 0.50
STAT3 P40763 1/20 0.50
ATM Q13315 1/20 0.50
RARA P10276 2/20 0.48
RARG P13631 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HSD17B10 Q99714 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL9154633 1.00 RARB (0.51) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9154575 1.00 RARB (0.51) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9158950 1.00 RARB (0.51) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9157062 1.00 RARB (0.51) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9153574 1.00 RARB (0.51) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9154201 1.00 RARB (0.51) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9151045 1.00 RARB (0.51) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9153601 1.00 RARB (0.51) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9155674 1.00 RARB (0.51) RARBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9156644 1.00 RARB (0.51) RARBRAB9ASMN1; SMN2NPC1MAPT

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
EP-0252961-B1 HETEROCYCLIC COMPOUNDS AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK PATENT GMBH (DE) 1995-02-08 EP disclosed
US-4913837-A Heterocyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-03 US disclosed