SCHEMBL8890939

SCHEMBL8890939

Cc1ccccc1Cc1cc(F)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
DCLRE1B Q9H816 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
SHBG P04278 1/20 0.40
RXRA P19793 1/20 0.40
KEAP1 Q14145 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HMGB1 P09429 1/20 0.40
CXCL12 P48061 1/20 0.40
PLA2G2A P14555 1/20 0.39
CLCN2 P51788 1/20 0.39
SLC16A3 O15427 1/20 0.39
MRGPRX4 Q96LA9 1/20 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
SCHEMBL8891181 0.87 KMT2A (0.40) SHBGALDH1A1GAAL3MBTL1PLA2G2A
SCHEMBL16429122 0.85 KEAP1 (0.52) DCLRE1BTSHRCYP2C9HIF1AKEAP1
SCHEMBL11823508 0.84 DCLRE1B (0.46) DCLRE1BTSHRCYP2C9HIF1AKEAP1
SCHEMBL8891670 0.84 PLA2G2A (0.50) HTTTSHRALDH1A1KDM4EPLA2G2A
SCHEMBL4219021 0.84 PTPN1 (0.53) DCLRE1BTSHRKEAP1KDM4E
SCHEMBL8767646 0.83 HTT (0.47) HTTTSHRSHBGKEAP1ALDH1A1
SCHEMBL28205348 0.82 TSHR (0.61) HTTTSHRCYP2C9HIF1AALDH1A1
SCHEMBL10607918 0.79 TSHR (0.48) HTTTSHRCYP2C9HIF1ARXRA
SCHEMBL65008 0.77 KEAP1 (0.50) HTTDCLRE1BHIF1AKEAP1ALDH1A1
SCHEMBL23099927 0.76 KDM4E (0.46) RXRAALDH1A1KDM4EMRGPRX4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed