SCHEMBL6561859

SCHEMBL6561859

CN(C)c1ccccc1/C=C/C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
NFKB1 P19838 1/20 0.56
CA4 P22748 1/20 0.56
MAPT P10636 3/20 0.49
HTT P42858 1/20 0.49
HDAC3 O15379 1/20 0.48
TNKS O95271 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL7455794 1.00 CA1 (0.56) CA1CA2NFKB1CA4MAPT
SCHEMBL3813437 0.88 CA1 (0.43) CA1CA2NFKB1CA4MAPT
SCHEMBL3457787 0.88 CA1 (0.43) CA1CA2NFKB1CA4MAPT
SCHEMBL8534636 0.85 MAPT (0.59) CA1CA2NFKB1CA4MAPT
SCHEMBL8534634 0.85 MAPT (0.59) CA1CA2NFKB1CA4MAPT
SCHEMBL815585 0.84 MAPT (0.58) NFKB1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL815583 0.84 MAPT (0.58) NFKB1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7677074 0.84 PTPN1 (0.56) CA1CA2NFKB1CA4MAPT
SCHEMBL4729446 0.82 CA1 (0.53) CA1CA2NFKB1CA4MAPT
SCHEMBL12425723 0.81 HDAC8 (0.58) MAPTHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003638-A None JP disclosed
WO-2024130161-A2 NOVEL CAMPTOTHECIN DERIVATIVES AND CONJUGATES THEREOF BIONECURE THERAPEUTICS INC (US) 2024-06-20 WO disclosed
EP-2768325-A1 PRESERVATIVE COMBINATIONS COMPRISING PROPIONIC ACID AND VANILLIN AND/OR CINNAMIC ACID Purac Biochem bv (NL) 2014-08-27 EP disclosed
EP-2768326-A1 PRESERVATIVE COMBINATIONS Purac Biochem bv (NL) 2014-08-27 EP disclosed
WO-2013058651-A1 PRESERVATIVE COMBINATIONS PURAC BIOCHEM B.V. (NL) 2013-04-25 WO disclosed
WO-2013058650-A1 PRESERVATIVE COMBINATIONS COMPRISING PROPIONIC ACID AND VANILLIN AND/OR CINNAMIC ACID PURAC BIOCHEM B.V. (NL) 2013-04-25 WO disclosed
WO-2013056572-A1 METHOD FOR RAPIDLY MEASURING MELATONIN ADULTERATION OF CHINESE PATENT MEDICINE OR HEALTHCARE FOOD 深圳市药品检验所 (CN) 2013-04-25 WO disclosed
EP-0803523-B1 Process for the preparation of dimensionally stable, closed cell, rigid, low density polyurethane foams BASF AG (DE) 2004-03-17 EP disclosed
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 EP disclosed
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 US disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 US disclosed
EP-0912567-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1999-05-06 EP disclosed
WO-1997043287-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1997-11-20 WO disclosed
EP-0803523-A1 Process for the preparation of dimensionally stable, closed cell, rigid, low density polyurethane foams BASF AKTIENGESELLSCHAFT (DE) 1997-10-29 EP disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed
JP-H023638-A 1,2-BIS(DIMETHYLAMINOCINNAMOYLOXY)PROPANE DERIVATIVE AND ULTRAVIOLET LIGHT ABSORBER CONTAINING THE SAME DERIVATIVE PIAS ARISE KK 1990-01-09 JP disclosed
US-4592906-A Ester of p-dimethylaminocinnamic acid GRAESSER LABORATORIES, LTD. (GB) 1986-06-03 US disclosed
EP-0153089-A1 Ultra-violet absorbing compounds and compositions containing said compounds GRAESSER LABORATORIES LIMITED (GB) 1985-08-28 EP disclosed