SCHEMBL7713573

SCHEMBL7713573

CCOC(OCC)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
HSP90AA1 P07900 1/20 0.44
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
AOX1 Q06278 1/20 0.36
PIN1 Q13526 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL9476283 0.77 HSP90AA1 (0.50) L3MBTL1HSP90AA1POLBALDH1A1TSHR
SCHEMBL65066 0.76 HSP90AA1 (0.50) HSP90AA1POLBALDH1A1TSHRMEN1
Bromide SCHEMBL6879691 0.75 HSP90AA1 (0.49) HSP90AA1POLBALDH1A1TSHRMEN1
Hydrochloric Acid SCHEMBL9061399 0.75 HSP90AA1 (0.49) HSP90AA1POLBALDH1A1TSHRMEN1
SCHEMBL1508 0.74 HSP90AA1 (0.55) L3MBTL1HSP90AA1POLBALDH1A1TSHR
SCHEMBL9374953 0.74 HSP90AA1 (0.47) L3MBTL1HSP90AA1POLBALDH1A1TSHR
SCHEMBL9374946 0.74 HSP90AA1 (0.47) L3MBTL1HSP90AA1POLBALDH1A1TSHR
SCHEMBL3145795 0.73 MEN1 (0.51) HSP90AA1POLBALDH1A1TSHRMEN1
SCHEMBL9363386 0.73 L3MBTL1 (0.41) L3MBTL1HSP90AA1POLBALDH1A1TSHR
SCHEMBL11242621 0.73 POLB (0.41) HSP90AA1POLBALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365552-B1 AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-0759907-B1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AG (DE) 2001-10-10 EP disclosed
US-6121280-A Azabicyclic rotomase inhibitors PFIZER INC. (US) 2000-09-19 US disclosed
EP-0947506-A1 2-Aza-bicyclo[2.2.1]heptane derivatives and their use as rotamase inhibitors Pfizer Products Inc. (US) 1999-10-06 EP disclosed
US-5928999-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 US disclosed
EP-0759907-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-05 EP disclosed
WO-1995032188-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-11-30 WO disclosed