SCHEMBL9828328

SCHEMBL9828328

Cc1ccc(C(=O)C2CCc3ccccc3C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MAPT P10636 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ACHE P22303 2/20 0.48
HSD17B10 Q99714 3/20 0.48
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
HTR2C P28335 2/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PLA2G1B P04054 1/20 0.44

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
SCHEMBL29458361 0.88 HSD17B10 (0.60) NPC1RAB9ASMN1; SMN2MAPTACHE
SCHEMBL599658 0.88 HSD17B10 (0.60) NPC1RAB9ASMN1; SMN2MAPTACHE
SCHEMBL11857136 0.85 MAPT (0.59) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL29458360 0.80 ACHE (0.53) NPC1RAB9ASMN1; SMN2MAPTACHE
SCHEMBL599710 0.80 ACHE (0.53) NPC1RAB9ASMN1; SMN2MAPTACHE
SCHEMBL8021509 0.78 ACHE (0.54) NPC1RAB9ASMN1; SMN2MAPTACHE
SCHEMBL578148 0.76 ACHE (0.50) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL15912541 0.76 ACHE (0.53) NPC1RAB9ASMN1; SMN2MAPTACHE
SCHEMBL30023013 0.76 ACHE (0.50) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL947365 0.75 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2MAPTACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3157324-A None JP disclosed
JP-2134341-A None JP disclosed
JP-H03157324-A COSMETIC KANEBO LTD 1991-07-05 JP disclosed
JP-H02134341-A 2-BENZOYL-1-TETRALON DERIVATIVE KANEBO LTD 1990-05-23 JP disclosed