SCHEMBL11076541

SCHEMBL11076541

CC(=O)C1(COC(=O)Oc2ccccc2)CC2CCC1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL11070416 0.76 GAA (0.34) GAAALDH1A1MAPTSMN1; SMN2CYP2D6
SCHEMBL22183694 0.68 GAA (0.38) GAAALDH1A1MAPTSMN1; SMN2CHRNA7
SCHEMBL11074154 0.68 GAA (0.38) GAAALDH1A1MAPTSMN1; SMN2CHRNA7
SCHEMBL11771789 0.67 MAPT (0.46) GAAALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL8521517 0.67 TSHR (0.42) GAAALDH1A1MAPTSMN1; SMN2CYP2D6
SCHEMBL8848331 0.66 CYP3A4 (0.40) ALDH1A1SMN1; SMN2RAB9ACYP2D6CYP3A4
SCHEMBL575227 0.66 MAPT (0.43) ALDH1A1MAPTCYP2D6CYP3A4MAPK1
SCHEMBL37520 0.66 MAPT (0.56) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL7307659 0.66 L3MBTL1 (0.40) GAAALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL10025073 0.66 MAPT (0.46) ALDH1A1MAPTMTNR1AMTNR1BMEN1

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-0026369-B1 CARBAMATES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-08-08 EP disclosed
US-4335138-A HYPNOTIC, SEDATIVE BASF AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed