SCHEMBL10596245

SCHEMBL10596245

[O]C(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 3/20 0.49
HCAR2 Q8TDS4 1/20 0.49
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CYP1A2 P05177 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL10691190 0.83 CES2 (0.54) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL15898020 0.83 CES2 (0.54) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL10525510 0.82 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL11526737 0.82 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL3206832 0.82 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL536227 0.81 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL2231648 0.81 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL5117818 0.81 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL6220408 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL11104066 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196026-B1 FUNCTIONAL DERIVATIVES OF PHOSPHORUS CONTAINING ACETIC ACIDS, PROCESS FOR THEIR PREPARATION AND HERBICIDAL AND PLANT GROWTH REGULATOR COMPOSITION CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-31 EP claimed
US-4776875-A Functional acetic acid derivatives containing phosphorus and herbicidal, growth-regulating agents containing them HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-11 US claimed
EP-0196026-A1 Functional derivatives of phosphorus containing acetic acids, process for their preparation and herbicidal and plant growth regulator composition containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-01 EP claimed
EP-0196026-B1 FUNCTIONAL DERIVATIVES OF PHOSPHORUS CONTAINING ACETIC ACIDS, PROCESS FOR THEIR PREPARATION AND HERBICIDAL AND PLANT GROWTH REGULATOR COMPOSITION CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-31 EP disclosed
US-4776875-A Functional acetic acid derivatives containing phosphorus and herbicidal, growth-regulating agents containing them HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-11 US disclosed
EP-0196026-A1 Functional derivatives of phosphorus containing acetic acids, process for their preparation and herbicidal and plant growth regulator composition containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-01 EP disclosed