SCHEMBL7855071

SCHEMBL7855071

O=C(NC(O)CCC(P(=O)(O)O)P(=O)(O)O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.49
▸ CTRB1 P17538 2/20 0.49
▸ TP53 P04637 1/20 0.48
▸ KYNU Q16719 1/20 0.47
▸ KLK1 P06870 1/20 0.47
▸ TACR1 P25103 1/20 0.47
▸ PRTN3 P24158 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MME P08473 2/20 0.46
▸ ECE1 P42892 2/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ CTSL P07711 1/20 0.45
▸ CTSS P25774 1/20 0.45

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
SCHEMBL5211205 0.88 CTRB1 (0.50) ELANECTRB1TP53KYNUKLK1
SCHEMBL6703656 0.81 LMNA (0.60) —
SCHEMBL11255815 0.80 HTT (0.56) CTRB1ATMMMEECE1CTSL
SCHEMBL6605708 0.79 CTRB1 (0.52) CTRB1TACR1ATMCTSLCTSS
SCHEMBL10606513 0.79 CTRB1 (0.52) CTRB1TACR1ATMCTSLCTSS
SCHEMBL21333945 0.78 CTSL (0.62) CTRB1ATMMMEECE1CTSL
SCHEMBL846125 0.77 CTRB1 (0.54) ELANECTRB1KYNUKLK1TACR1
SCHEMBL11567174 0.77 ELANE (0.60) ELANECTRB1KYNUPRTN3ATM
SCHEMBL4163321 0.77 ELANE (0.60) ELANECTRB1KYNUPRTN3ATM
SCHEMBL8740045 0.77 ELANE (0.60) ELANECTRB1KYNUPRTN3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121366-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 2001-08-08 — — EP disclosed
WO-1999051613-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 1999-10-14 — — WO disclosed
Send feedback