SCHEMBL28042771

SCHEMBL28042771

CCCOc1cc(C(=O)O)cc2c1OCC=C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
PLA2G2A P14555 1/20 0.37
RXRA P19793 2/20 0.36
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 2/20 0.34
CASP6 P55212 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CREBBP Q92793 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FABP4 P15090 1/20 0.34
TSHR P16473 1/20 0.33
PTPN11 Q06124 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL28042730 0.94 PLA2G2A (0.42) PLA2G2ARXRAHPGDALDH1A1TSHR
SCHEMBL28042726 0.93 PLA2G2A (0.47) KMT2APLA2G2AHPGDALDH1A1TSHR
SCHEMBL28042914 0.80 MEN1 (0.48) KMT2ARXRAHPGD
SCHEMBL15996999 0.68 PLK1 (0.48) PLA2G2ARXRAHPGDPOLBALDH1A1
SCHEMBL8636608 0.68 SMN1; SMN2 (0.60) KMT2AHSD17B10POLBALDH1A1TSHR
SCHEMBL8934809 0.68 PTGS2 (0.61) KMT2APLA2G2AHPGDHSD17B10POLB
SCHEMBL566516 0.67 POLB (0.66) KMT2AHPGDHSD17B10POLBCASP6
SCHEMBL7995915 0.67 PLA2G2A (0.56) PLA2G2AHPGDALDH1A1TSHRPTPN11
SCHEMBL16072742 0.66 RARB (0.46) KMT2APLA2G2AHPGDPOLBCASP6
SCHEMBL27491591 0.66 KMT2A (0.46) KMT2APLA2G2ARXRAPOLBCASP6

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