SCHEMBL6824331

SCHEMBL6824331

CC(=O)c1[nH]c2cc(OCc3ccccc3)ccc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
CTSV O60911 3/20 0.56
CTSL P07711 3/20 0.56
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAOA P21397 2/20 0.51
MDH2 P40926 1/20 0.51
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
SRD5A2 P31213 1/20 0.49
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 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
SCHEMBL1181100 0.80 CTSV (0.66) MAOBCTSVCTSLHPGDALDH1A1
SCHEMBL27008293 0.78 CTSV (0.54) MAOBCTSVCTSLHPGDALDH1A1
SCHEMBL27142999 0.77 CTSV (0.53) CTSVCTSLHPGDALDH1A1SMN1; SMN2
SCHEMBL17023377 0.76 MDH2 (0.72) MAOBCTSVCTSLHPGDALDH1A1
SCHEMBL7257021 0.76 CTSV (0.57) MAOBCTSVCTSLHPGDALDH1A1
SCHEMBL8147522 0.75 TNKS2 (0.60) MAOBCTSVCTSLHPGDALDH1A1
SCHEMBL8140288 0.75 TNKS2 (0.57) MAOBCTSVCTSLHPGDALDH1A1
SCHEMBL4523117 0.74 HPGD (0.68) CTSVCTSLHPGDALDH1A1SMN1; SMN2
SCHEMBL5504619 0.74 KDM4E (0.69) MAOBCTSVCTSLHPGDALDH1A1
SCHEMBL7253632 0.74 CTSV (0.66) MAOBCTSVCTSLHPGDALDH1A1

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 10 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
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