SCHEMBL8948989

SCHEMBL8948989

COC(=CC(=O)O)c1cccc2ccc(C)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
CNR2 P34972 3/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
NR4A2 P43354 2/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.36
PLAU P00749 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
AKR1C2 P52895 1/20 0.36
PLG P00747 1/20 0.36
KLK1 P06870 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL8948985 1.00 MTNR1A (0.44) MTNR1ACYP1A2CYP2A6CNR2RAB9A
SCHEMBL8948979 1.00 MTNR1A (0.44) MTNR1ACYP1A2CYP2A6CNR2RAB9A
SCHEMBL9218125 0.89 MTNR1A (0.44) MTNR1ACYP1A2CYP2A6CNR2RAB9A
SCHEMBL8948898 0.85 MTNR1A (0.43) MTNR1ARAB9AKMT2ATRPV1NR4A2
SCHEMBL8948874 0.85 MTNR1A (0.43) MTNR1ARAB9AKMT2ATRPV1NR4A2
SCHEMBL8948885 0.85 MTNR1A (0.43) MTNR1ARAB9AKMT2ATRPV1NR4A2
SCHEMBL8949018 0.84 NR4A2 (0.43) MTNR1ANR4A2PLAUNR4A1NR4A3
SCHEMBL8949021 0.84 NR4A2 (0.43) MTNR1ANR4A2PLAUNR4A1NR4A3
SCHEMBL8949014 0.84 NR4A2 (0.43) MTNR1ANR4A2PLAUNR4A1NR4A3
SCHEMBL21845580 0.79 NR4A2 (0.53) MTNR1ACYP1A2CYP2A6CNR2RAB9A

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
US-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed