SCHEMBL7100862

SCHEMBL7100862

O=C1c2ccccc2CC(CCP(=O)(O)O)N1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
KMT2A Q03164 1/20 0.36
HTR2C P28335 8/20 0.35
HTR2B P41595 8/20 0.35
HTR2A P28223 7/20 0.35
OPRM1 P35372 1/20 0.35
KCNH2 Q12809 1/20 0.35
ACHE P22303 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
METAP1 P53582 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 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
SCHEMBL7097158 0.82 RNASEH1 (0.34) RNASEH1KMT2AHTR2CHTR2BHTR2A
SCHEMBL23445600 0.71 RNASEH1 (0.49) RNASEH1KDM4EALOX15TSHRSIRT1
SCHEMBL29691164 0.63 OPRM1 (0.52) TSHRKMT2AHTR2CHTR2BHTR2A
SCHEMBL9242647 0.62 TSHR (0.56) TSHRSMN1; SMN2
SCHEMBL3557885 0.61 KMT2A (0.41) KMT2AHTR2CHTR2BHTR2AOPRM1
SCHEMBL701088 0.61 ACHE (0.52) KDM4ETSHRKMT2AHTR2CHTR2B
SCHEMBL10672107 0.60 CES1 (0.54) RNASEH1ALOX15KMT2AHTR2CHTR2B
SCHEMBL2182918 0.60 TSHR (0.66) TSHRSMN1; SMN2
SCHEMBL11246035 0.60 KMT2A (0.44) RNASEH1KDM4EALOX15TSHRKMT2A
SCHEMBL28922579 0.60 HTR2C (0.49) RNASEH1KDM4EALOX15TSHRSIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140952-B1 ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION BIOAGENCY AG (DE) 2003-09-03 EP disclosed
EP-1140952-A1 ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION Jomaa Pharmaka GmbH (DE) 2001-10-10 EP disclosed
WO-2000037477-A1 ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION JOMAA PHARMAKA GMBH (DE) 2000-06-29 WO disclosed