SCHEMBL8948952

SCHEMBL8948952

CO/C(=C(\Br)C(=O)O)c1cccc2ccc(CBr)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.40
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
PTPN1 P18031 1/20 0.35
CNR2 P34972 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 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
SCHEMBL8948955 1.00 MTNR1A (0.40) MTNR1ACYP4F2CYP4A11PTPN1CNR2
SCHEMBL8948927 0.86 MRGPRX4 (0.42) MTNR1A
SCHEMBL8948931 0.86 MRGPRX4 (0.42) MTNR1A
SCHEMBL6303622 0.78 NR4A1 (0.55) PTPN1CNR2KDM4EALDH1A1HPGD
SCHEMBL9215178 0.78 HIF1A (0.43) MTNR1A
SCHEMBL8889586 0.78 AKR1C2 (0.43) MTNR1ACYP4F2CYP4A11PTPN1CNR2
SCHEMBL8889571 0.78 AKR1C2 (0.43) MTNR1ACYP4F2CYP4A11PTPN1CNR2
SCHEMBL9400308 0.77 PTPN1 (0.44) MTNR1ACYP4F2CYP4A11PTPN1CNR2
SCHEMBL8889580 0.76 AKR1C2 (0.41) MTNR1ACYP4F2CYP4A11PTPN1CNR2
SCHEMBL6304064 0.73 NQO2 (0.39) MTNR1ACYP4F2CYP4A11PTPN1CNR2

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