SCHEMBL7209101

SCHEMBL7209101

O=C(OP(=O)(O)O)[C@H](Cc1ccccc1)NOCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.40
CTSL P07711 1/20 0.40
MME P08473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HPRT1 P00492 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
CA9 Q16790 1/20 0.38
TACR1 P25103 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
LAP3 P28838 3/20 0.38
ANPEP P15144 1/20 0.38

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
SCHEMBL7212742 0.90 HPRT1 (0.39) CTSLKMT2AHPRT1LAP3ANPEP
SCHEMBL7207832 0.83 MEN1 (0.41) TDP1KMT2ACA12CA1CA2
SCHEMBL7361409 0.79 ATM (0.46) PIN1CTSLATMALDH1A1LMNA
SCHEMBL9715661 0.77 POLB (0.48) PIN1CTSLATMHPRT1ALDH1A1
SCHEMBL7209082 0.76 NPC1 (0.46) CTSLMMETACR1LAP3ANPEP
SCHEMBL28460302 0.76 TACR1 (0.43) CTSLMMETACR1ALDH1A1
SCHEMBL7207869 0.76 NPC1 (0.46) CTSLMMETACR1LAP3ANPEP
SCHEMBL7207845 0.73 MEN1 (0.40) TDP1KMT2ACA12CA1CA2
SCHEMBL7105161 0.73 MEN1 (0.40) TDP1KMT2ACA12CA1CA2
SCHEMBL4958184 0.71 ALPI (0.58) PIN1LAP3ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150988-B1 PHOSPHORAMIDATE, AND MONO-, DI-, AND TRI-PHOSPHATE ESTERS OF (1R, CIS)-4-(6-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL AGENTS GLAXO GROUP LTD (GB) 2003-05-28 EP claimed