SCHEMBL6199162

SCHEMBL6199162

CCOC(=O)c1cnc2ccc(OCCOC(C)=O)cc2c1O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.51
ALDH1A1 P00352 5/20 0.51
LMNA P02545 5/20 0.51
KMT2A Q03164 3/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NMT1 P30419 5/20 0.50
NMT2 O60551 1/20 0.50
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL620990 0.90 MAPT (0.53) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL618410 0.88 MAPT (0.62) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL620359 0.84 MAPT (0.63) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL31603107 0.84 MAPT (0.63) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL620385 0.82 NMT1 (0.53) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL18285426 0.82 MAPT (0.55) MAPTALDH1A1LMNAKMT2AHPGD
Butane SCHEMBL3825261 0.82 MAPT (0.61) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL29896399 0.82 MAPT (0.55) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL6197990 0.81 TP53 (0.63) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL6202376 0.81 MAPK1 (0.50) MAPTALDH1A1LMNAKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP disclosed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 EP disclosed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US disclosed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 WO disclosed