SCHEMBL7616017

SCHEMBL7616017

CCCP(O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
TP53 P04637 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 1/20 0.34
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL6441288 0.83 EPHX1 (0.41) KMT2ACES2CES1
SCHEMBL6445257 0.83 EPHX1 (0.41) KMT2ACES2CES1
SCHEMBL6443841 0.83 EPHX1 (0.41) KMT2ACES2CES1
SCHEMBL6443382 0.83 EPHX1 (0.41) KMT2ACES2CES1
SCHEMBL6442090 0.80 TDP1 (0.41) CYP3A4TDP1ESR1ESR2TP53
SCHEMBL14413267 0.76 TDP1 (0.38) CYP3A4TDP1ESR1ESR2CA12
SCHEMBL301087 0.75 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2TP53
SCHEMBL163845 0.75 TDP1 (0.41) CYP3A4TDP1ESR1ESR2TP53
Butane SCHEMBL8167331 0.75 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2TP53
SCHEMBL3997009 0.73 TDP1 (0.39) CYP3A4TDP1ESR1ESR2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6437075-B1 Polyurethane and polyurea biomaterials for use in medical devices MEDTRONIC, INC. 2002-08-20 US disclosed
US-6437076-B1 Polyurethane and polyurea biomaterials for use in medical devices MEDTRONIC, INC 2002-08-20 US disclosed
EP-0875519-B1 Polyurethane biomaterials for use in medical devices MEDTRONIC INC (US) 2001-07-04 EP disclosed
US-6149678-A Polyurethane and polyurea biomaterials for use in medical devices MEDTRONIC, INC. (US) 2000-11-21 US disclosed
US-6111052-A CONTAINING SACRIFICIAL MOIETIES (E.G., SULFUR-CONTAINING OR PHOSPHORUS-CONTAINING MOIETIES) THAT PREFERENTIALLY OXIDIZE RELATIVE TO OTHER MOIETIES IN THE POLYMER MEDTRONIC, INC. (US) 2000-08-29 US disclosed
US-5986034-A MEDICAL EQUIPMENT WITH CONNECTORS, SHEATHS AND CONDUCTORS MEDTRONIC, INC. (US) 1999-11-16 US disclosed
EP-0875519-A1 Biomaterials for use in medical devices MEDTRONIC, INC. (US) 1998-11-04 EP disclosed
US-4187385-A TITANIUM COMPONENT COPULVERIZED WITH ORGANOALUMINUM COMPOUND AND ETHYLENE OR A-OLEFINS, PARTICLE SIZE MITSUI TOATSU CHEMICAL, INC. (JP) 1980-02-05 US disclosed