SCHEMBL8768041

SCHEMBL8768041

CCCCc1c(OC(=O)c2ccc(O)cc2)cccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.46
ESR2 Q92731 3/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL8767060 0.95 PLK1 (0.47) ESR1ESR2TSHRLMNACYP1A2
SCHEMBL8768043 0.95 PLK1 (0.47) ESR1ESR2TSHRLMNACYP1A2
SCHEMBL8766846 0.95 PLK1 (0.47) ESR1ESR2TSHRLMNACYP1A2
SCHEMBL8768023 0.92 ESR1 (0.48) ESR1ESR2TSHRLMNACYP1A2
SCHEMBL8767093 0.87 ESR1 (0.50) ESR1ESR2TSHRLMNACYP1A2
SCHEMBL7759509 0.84 ESR1 (0.51) ESR1ESR2LMNASMN1; SMN2KDM4E
SCHEMBL8768048 0.80 ESR1 (0.46) ESR1ESR2TSHRLMNACYP1A2
SCHEMBL8766831 0.80 ESR1 (0.54) ESR1ESR2TSHRLMNACYP1A2
SCHEMBL4901583 0.80 ESR1 (0.51) ESR1ESR2TSHRLMNACYP1A2
SCHEMBL30180333 0.80 ESR1 (0.51) ESR1ESR2TSHRLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0585127-B1 Thermal Recording sheet JUJO PAPER CO LTD (JP) 1997-12-29 EP disclosed
EP-0570186-B1 Thermal recording sheet JUJO PAPER CO LTD (JP) 1997-08-13 EP disclosed
US-5405821-A Containing a 4-hydroxyphenylarylsulfone color developer NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1995-04-11 US disclosed
EP-0570186-A1 Thermal recording sheet NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-11-18 EP disclosed