SCHEMBL6826445

SCHEMBL6826445

O=C(CO)c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
MDH2 P40926 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LTA4H P09960 6/20 0.58
PLA2G2A P14555 6/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 1/20 0.58
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
TRPM8 Q7Z2W7 3/20 0.58
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
HTR1D P28221 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
KIF20A O95235 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.52

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
SCHEMBL6824330 0.90 MDH2 (0.70) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL7382353 0.90 MEN1 (0.64) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL28123392 0.89 TRPM8 (0.60) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL6764594 0.86 MAOB (0.61) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL11602121 0.86 ALDH1A1 (0.61) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL18549394 0.86 LTA4H (0.63) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL11194622 0.84 ALDH1A1 (0.59) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL7376780 0.84 ALDH1A1 (0.59) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL9023222 0.84 NR4A2 (0.66) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL5114492 0.83 POLB (0.59) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935463-B1 USE OF ANTI-NEUROGENIC INFLAMMATORY COMPOUNDS AND COMPOSITIONS HARBOR BRANCH OCEANOGRAPHIC (US) 2004-01-21 EP disclosed
US-6090811-A ANALGESIC HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 2000-07-18 US disclosed
US-5955462-A ANTIINFLAMMATORY AGENTS FOR NEUROGENIC INFLAMMATION AND ADMINISTERING BISINDOLE OR COMPOUNDS HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1999-09-21 US disclosed
EP-0935463-A2 ANTI-NEUROGENIC INFLAMMATORY COMPOUNDS AND COMPOSITIONS AND METHODS OF USE THEREOF HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1999-08-18 EP disclosed
WO-1998018466-A2 ANTI-NEUROGENIC INFLAMMATORY COMPOUNDS AND COMPOSITIONS AND METHODS OF USE THEREOF HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1998-05-07 WO disclosed
EP-0686154-B1 NOVEL USE AS ANTI-INFLAMMATORY AGENTS FOR BIS-HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF HARBOR BRANCH OCEANOGRAPHIC (US) 1998-04-22 EP disclosed
US-5496950-A ANTIINFLAMMATORY AGENTS HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1996-03-05 US disclosed
EP-0686154-A1 NOVEL USE AS ANTI-INFLAMMATORY AGENTS FOR BIS-HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1995-12-13 EP disclosed
US-5464835-A Antiinflammatory agents HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1995-11-07 US disclosed
WO-1994019343-A2 NOVEL USE AS ANTI-INFLAMMATORY AGENTS FOR BIS-HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1994-09-01 WO disclosed
US-5290777-A Use for topsentin compounds and pharmaceutical compositions containing same REGENTS OF THE UNIV. OF CALIFORNIA (US) 1994-03-01 US disclosed
US-4866084-A EXTRACTED FROM SPONGES HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1989-09-12 US disclosed