SCHEMBL6132631

SCHEMBL6132631

CC1CN(c2ccc(C#CC(C)(C)O)cc2)CC(C)O1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 2/20 0.38
MAP3K14 Q99558 2/20 0.38
GAA P10253 3/20 0.37
KMT2A Q03164 2/20 0.36
MCL1 Q07820 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL6132628 1.00 MAPT (0.48) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6132255 0.74 MAPT (0.51) MAPTSMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL6132253 0.74 MAPT (0.51) MAPTSMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL12391039 0.73 ASIC3 (0.50) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL12781692 0.73 MAPT (0.53) MAPTRAB9AALDH1A1TSHRGAA
SCHEMBL10433612 0.73 MAPT (0.53) MAPTRAB9AALDH1A1TSHRGAA
SCHEMBL19012391 0.73 MAPT (0.53) MAPTRAB9AALDH1A1TSHRGAA
SCHEMBL6132558 0.72 KDM4E (0.57) ALDH1A1HTTGAAKMT2A
SCHEMBL6132555 0.72 KDM4E (0.57) ALDH1A1HTTGAAKMT2A
SCHEMBL6132808 0.72 KDM4E (0.57) ALDH1A1HTTGAAKMT2A

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed