SCHEMBL8818299

SCHEMBL8818299

NC(=O)C1CCc2ccccc2S1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLAU P00749 1/20 0.35
ANPEP P15144 4/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
PIN1 Q13526 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL30988910 0.84 MAPT (0.44) ALDH1A1GAASIGMAR1SMN1; SMN2MTNR1A
SCHEMBL8464052 0.84 MAPT (0.44) ALDH1A1GAASIGMAR1SMN1; SMN2MTNR1A
SCHEMBL30522632 0.83 SIGMAR1 (0.40) ALDH1A1GAASIGMAR1MTNR1AMTNR1B
SCHEMBL12920705 0.82 ALDH1A1 (0.45) ALDH1A1GAALMNAGFERSMN1; SMN2
SCHEMBL6721448 0.74 SIGMAR1 (0.43) SIGMAR1PLAUANPEPMTNR1AMTNR1B
SCHEMBL7084961 0.73 MTNR1A (0.39) GAALMNAMTNR1AMTNR1B
SCHEMBL8411302 0.72 ALDH1A1 (0.37) ALDH1A1SIGMAR1NPC1MAPTPKM
SCHEMBL8411297 0.72 ALDH1A1 (0.37) ALDH1A1SIGMAR1NPC1MAPTPKM
SCHEMBL7949972 0.72 MAPT (0.44) ALDH1A1GAALMNAMAPTPKM
SCHEMBL7822510 0.72 SIGMAR1 (0.32) SIGMAR1NPC1MAPTPKMRAB9A

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
JP-9291088-A None JP disclosed
JP-H09291088-A PRODUCTION OF PYRAZOLE DERIVATIVE IDEMITSU KOSAN CO LTD 1997-11-11 JP disclosed