SCHEMBL28042730

SCHEMBL28042730

CCCCOc1cc(C(=O)O)cc2c1OCC=C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.42
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PLA2G4B P0C869 3/20 0.38
RXRA P19793 1/20 0.38
PTPN11 Q06124 1/20 0.38
RARB P10826 4/20 0.37

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
SCHEMBL28042726 0.96 PLA2G2A (0.47) PLA2G2ATP53TSHRALDH1A1HPGD
SCHEMBL28042771 0.94 KMT2A (0.39) PLA2G2ATSHRALDH1A1HPGDRXRA
SCHEMBL28042914 0.79 MEN1 (0.48) TP53HPGDRXRA
SCHEMBL15996999 0.75 PLK1 (0.48) PLA2G2ATP53TSHRALDH1A1HPGD
SCHEMBL7995915 0.75 PLA2G2A (0.56) PLA2G2ATP53TSHRALDH1A1HPGD
SCHEMBL12604610 0.72 PLA2G2A (0.56) PLA2G2ATP53TSHRALDH1A1HPGD
SCHEMBL12101421 0.70 PLA2G2A (0.54) PLA2G2ATP53TSHRALDH1A1HPGD
SCHEMBL2664838 0.70 PLA2G2A (0.54) PLA2G2ATP53TSHRALDH1A1HPGD
SCHEMBL1108059 0.69 PLA2G2A (0.66) PLA2G2ATP53TSHRALDH1A1HPGD
SCHEMBL1201538 0.69 PLA2G2A (0.66) PLA2G2ATP53TSHRALDH1A1HPGD

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
CN-103265517-B 3-substituted cumarin analog derivative and uses thereof ZHEJIANG UNIVERSITY (CN) 2016-01-13 CN disclosed