SCHEMBL6570112

SCHEMBL6570112

CCC(=O)NOP(=O)(O)OCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
CA9 Q16790 1/20 0.40
CETP P11597 3/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
S1PR4 O95977 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
SCHEMBL6571631 0.89 GAA (0.43) TSHRLMNAKDM4ECETPGAA
SCHEMBL6570330 0.87 TDP1 (0.46) LMNAKDM4ERAB9ANPC1CETP
SCHEMBL6568704 0.86 EPHX2 (0.48) CETPKMT2A
SCHEMBL6568415 0.86 TSHR (0.44) TSHRLMNAKDM4ERAB9ANPC1
SCHEMBL6569306 0.85 EPHX2 (0.50) CETPKMT2AALDH1A1
SCHEMBL6569347 0.85 EPHX2 (0.50) CETPKMT2AALDH1A1
SCHEMBL6570358 0.85 EPHX2 (0.50) CETPKMT2AALDH1A1
SCHEMBL6569386 0.85 EPHX2 (0.50) CETPKMT2AALDH1A1
SCHEMBL6569223 0.85 EPHX2 (0.50) CETPKMT2AALDH1A1
SCHEMBL6568562 0.84 HDAC3 (0.44) TSHRLMNAKDM4ERAB9ANPC1

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-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP claimed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US claimed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP claimed