SCHEMBL9725239

SCHEMBL9725239

Cc1cc(O)ccc1OC(=O)c1ccc(C(=O)Oc2ccc(O)cc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ESR2 Q92731 3/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MAPT P10636 1/20 0.45
HSD17B1 P14061 1/20 0.45
KMT2A Q03164 1/20 0.44
SENP1 Q9P0U3 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
SCHEMBL767990 0.98 CA12 (0.50) ESR1ESR2CA12CA1CA2
SCHEMBL767730 0.93 SENP1 (0.50) ESR1ESR2CA12CA1CA2
SCHEMBL10882053 0.93 ESR1 (0.53) ESR1ESR2CA12CA1CA2
SCHEMBL8597105 0.92 KMT2A (0.46) ESR1ESR2CA12CA1CA2
SCHEMBL11341049 0.91 ESR1 (0.62) ESR1ESR2MAPTKMT2A
SCHEMBL26496550 0.89 ALDH1A1 (0.43) ESR1ESR2CA12CA1CA2
SCHEMBL767689 0.89 KMT2A (0.51) ESR1ESR2MAPTKMT2A
SCHEMBL768627 0.89 DYRK1A (0.45) ESR1ESR2CA12CA1CA2
SCHEMBL19763405 0.88 SENP1 (0.51) ESR1ESR2CA12CA1CA2
SCHEMBL15582423 0.88 L3MBTL1 (0.48) ESR1ESR2CA12CA1CA2

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-5108863-A Processes for the preparation of encapsulated toner compositions XEROX CORPORATION (US) 1992-04-28 US disclosed
US-4954412-A Processes for the preparation of encapsulated toner compositions XEROX CORPORATION (US) 1990-09-04 US disclosed