SCHEMBL8778059

SCHEMBL8778059

CCC(C)c1cccc(C(=O)O)c1OC(=O)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
SENP1 Q9P0U3 1/20 0.40
ESR1 P03372 5/20 0.40
ESR2 Q92731 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.39
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 3/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL8768064 0.87 SENP1 (0.44) SENP1ESR1ESR2CA12CA1
SCHEMBL8767097 0.80 SENP1 (0.45) MAPTSENP1ESR1ESR2CA12
SCHEMBL8778056 0.80 ESR1 (0.46) MAPTESR1ESR2CA12CA1
SCHEMBL9407559 0.78 ESR1 (0.38) MAPTESR1ESR2TDP1KMT2A
SCHEMBL8766835 0.77 ALDH1A1 (0.62) MAPTSENP1ESR1ESR2CA12
SCHEMBL8768028 0.77 SENP1 (0.46) MAPTSENP1ESR1ESR2CA12
SCHEMBL5162893 0.76 TSHR (0.46) MAPTESR1ESR2CA12CA1
SCHEMBL8768048 0.75 ESR1 (0.46) SENP1ESR1ESR2CA12CA1
SCHEMBL25419370 0.75 KMT2A (0.42) ALDH1A1KMT2ATSHRHSD17B10MAPK1
SCHEMBL25421070 0.75 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHSD17B10MAPK1

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