SCHEMBL6422941

SCHEMBL6422941

CCCCOC(=O)c1ccc(O)cc1CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
ESR1 P03372 5/20 0.59
MAPK1 P28482 3/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
NR1H2 P55055 1/20 0.59
RNASEL Q05823 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
SERPINE1 P05121 1/20 0.54
CYP3A4 P08684 2/20 0.53
TP53 P04637 1/20 0.53
ALDH1A1 P00352 3/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51

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
SCHEMBL9436087 0.94 TSHR (0.60) TSHRESR1MAPK1LMNACYP1A2
SCHEMBL10006039 0.91 TSHR (0.56) TSHRESR1MAPK1LMNACYP1A2
SCHEMBL29029490 0.91 TSHR (0.56) TSHRESR1MAPK1LMNACYP1A2
SCHEMBL23422076 0.90 TSHR (0.57) TSHRESR1MAPK1LMNACYP1A2
SCHEMBL7540819 0.87 TSHR (0.67) TSHRESR1MAPK1LMNACYP1A2
SCHEMBL9617126 0.86 SERPINE1 (0.75) TSHRESR1MAPK1LMNACYP1A2
SCHEMBL29062899 0.85 TSHR (0.57) TSHRESR1MAPK1LMNACYP1A2
SCHEMBL5317593 0.85 TSHR (0.57) TSHRESR1MAPK1LMNACYP1A2
SCHEMBL28450761 0.85 TSHR (0.57) TSHRESR1MAPK1LMNACYP1A2
SCHEMBL29285270 0.85 TSHR (0.57) TSHRESR1MAPK1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1552269-A2 FORMALDEHYDE-AMMONIUM SALT COMPLEXES FOR THE STABILIZATION OF BLOOD CELLS Coulter International Corp. (US) 2005-07-13 EP disclosed
US-6913932-B2 Formaldehyde-ammonium salt complexes for the stabilization of blood cells BECKMAN COULTER, INC. (US) 2005-07-05 US disclosed
WO-2004017895-A2 FORMALDEHYDE-AMMONIUM SALT COMPLEXES FOR THE STABILIZATION OF BLOOD CELLS COULTER INTERNATIONAL CORP. (US) 2004-03-04 WO disclosed
US-20040038424-A1 Formaldehyde-ammonium salt complexes for the stabilization of blood cells BECKMAN COULTER, INC. 2004-02-26 US disclosed