SCHEMBL8948846

SCHEMBL8948846

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
CYP1A2 P05177 3/20 0.45
IDO1 P14902 2/20 0.45
TDO2 P48775 2/20 0.45
CYP2A6 P11509 1/20 0.45
CNR2 P34972 5/20 0.44
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
PTPN1 P18031 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
PLG P00747 1/20 0.40
KLK1 P06870 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 3/20 0.39
GMNN O75496 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL8948915 0.84 MTNR1A (0.45) MTNR1ACYP1A2CNR2PTPN1KMT2A
SCHEMBL6926548 0.83 PTPN1 (0.59) CYP1A2CNR2NPC1PTPN1KMT2A
SCHEMBL21845580 0.81 NR4A2 (0.53) MTNR1ACYP1A2CYP2A6CNR2RAB9A
SCHEMBL10972467 0.80 LMNA (0.55) MTNR1ACYP1A2CYP2A6CNR2RAB9A
SCHEMBL8889744 0.78 MTNR1A (0.54) MTNR1ACYP1A2CYP2A6KMT2AMEN1
SCHEMBL8948964 0.77 CNR2 (0.47) MTNR1ACYP1A2CYP2A6CNR2RAB9A
SCHEMBL6303548 0.76 CYP2A6 (0.55) MTNR1ACYP1A2CYP2A6CNR2RAB9A
SCHEMBL3391575 0.76 NR4A1 (0.60) CYP1A2CYP2A6CNR2RAB9ANPC1
SCHEMBL15703593 0.76 CDC25B (0.60) CYP1A2CYP2A6CNR2RAB9ANPC1
SCHEMBL26885062 0.75 MTNR1A (0.50) 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