SCHEMBL3720801

SCHEMBL3720801

CC(C)[C@H](NOCc1ccccc1)C(=O)OP(=O)(O)Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
PRTN3 P24158 1/20 0.42
ECE1 P42892 3/20 0.42
MME P08473 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ACE2 Q9BYF1 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL30547455 0.90 ELANE (0.44) ELANEPRTN3ECE1MMENPC1
SCHEMBL7208522 0.87 NPC1 (0.44) ELANEPRTN3ECE1MMENPC1
SCHEMBL7212923 0.87 NPC1 (0.44) ELANEPRTN3ECE1MMENPC1
SCHEMBL4282571 0.87 CA1 (0.46) ELANEECE1MMENPC1RAB9A
SCHEMBL4282703 0.87 CA1 (0.46) ELANEECE1MMENPC1RAB9A
SCHEMBL27536452 0.87 CA1 (0.46) ELANEECE1MMENPC1RAB9A
SCHEMBL27994897 0.84 NPC1 (0.45) ELANEPRTN3ECE1MMENPC1
SCHEMBL10004179 0.83 NPC1 (0.49) ELANEPRTN3NPC1RAB9AALDH1A1
SCHEMBL28449915 0.82 CTSK (0.46) CTSLCTSBCTSSCTSK
SCHEMBL28464084 0.82 ACP3 (0.44) ECE1ALDH1A1

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-2658857-B1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS INHIBITEX INC (US) 2016-11-02 EP disclosed
WO-2010081082-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2010-07-15 WO disclosed