SCHEMBL9808201

SCHEMBL9808201

Cc1cc(SCCCOC(=O)C(C)Sc2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ESR1 P03372 4/20 0.32
GRM2 Q14416 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CNR2 P34972 1/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL9808224 0.93 EPHX1 (0.38) EPHX1LMNAKDM4EESR1THRA
SCHEMBL9808093 0.84 EPHX1 (0.39) EPHX1LMNAKDM4EESR1HPGD
SCHEMBL9808130 0.81 EPHX1 (0.37) EPHX1LMNAKDM4EESR1THRB
SCHEMBL9808284 0.80 ATM (0.38) KDM4EESR1TDP1
SCHEMBL9808104 0.80 LMNA (0.39) EPHX1LMNAKDM4EESR1HPGD
SCHEMBL9808210 0.80 KDM4E (0.42) LMNAKDM4ETDP1
SCHEMBL9750261 0.75 ESR1 (0.44) ESR1THRBCNR2TDP1
SCHEMBL9808114 0.74 HSP90AA1 (0.40) EPHX1LMNAKDM4EESR1HPGD
SCHEMBL9808180 0.74 APP (0.42) ESR1TDP1
SCHEMBL6534989 0.73 ESR1 (0.50) ESR1THRBTDP1

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-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed