SCHEMBL27697223

SCHEMBL27697223

Oc1ccoc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
CALM1 P0DP23 1/20 0.44
IDH1 O75874 2/20 0.44
ALOX5 P09917 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN1 P18031 1/20 0.38
HNF4A P41235 1/20 0.38
CHUK O15111 1/20 0.37
TXNRD1 Q16881 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
SHBG P04278 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL8335312 0.77 TSHR (0.54) HIF1AALDH1A1
SCHEMBL5316167 0.77 IDH1 (0.46) BCL2BCL2L1CALM1IDH1HIF1A
SCHEMBL9408084 0.77 CALM1 (0.46) BCL2BCL2L1CALM1ALOX5KMT2A
SCHEMBL6440472 0.75 CALM1 (0.44) CALM1IDH1KMT2AMEN1CYP3A4
SCHEMBL28145090 0.75 CALM1 (0.44) BCL2BCL2L1CALM1IDH1KMT2A
SCHEMBL6751023 0.75 CALM1 (0.44) BCL2BCL2L1CALM1IDH1CYP3A4
SCHEMBL11397773 0.75 TP53 (0.50) KMT2AMEN1CYP3A4ALOX15HSD17B10
SCHEMBL31176573 0.72 BCL2 (0.54) BCL2BCL2L1CALM1IDH1ALOX5
SCHEMBL10524083 0.72 BCL2 (0.44) BCL2BCL2L1CALM1ALOX5KMT2A
SCHEMBL27174207 0.72 TP53 (0.43) BCL2BCL2L1CALM1IDH1CYP3A4

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
CN-101088995-B Ester compound and its use in pest control SUMITOMO CHEMICAL CO 2011-04-13 CN disclosed
CN-101088995-A Ester compound and its use in pest control SUMITOMO CHEMICAL CO (JP) 2007-12-19 CN disclosed