SCHEMBL8778882

SCHEMBL8778882

CCOC(=O)/C=C(C)/C=C/C=C(/C)C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 3/20 0.38
ALOX15 P16050 2/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.36
PTGS1 P23219 2/20 0.35
GLO1 Q04760 1/20 0.35
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL9666690 1.00 NPSR1 (0.43) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL11168141 1.00 NPSR1 (0.43) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL10959675 1.00 NPSR1 (0.43) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL8778884 1.00 NPSR1 (0.43) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL11854280 0.86 NPSR1 (0.46) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL11854274 0.86 NPSR1 (0.46) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL28108710 0.85 NPSR1 (0.42) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL22356378 0.85 ALDH1A1 (0.50) NPSR1MAPTKDM4EATMHCAR2
SCHEMBL10751339 0.84 ATM (0.51) NPSR1MAPTKDM4EATMHCAR2
SCHEMBL10752640 0.84 ATM (0.51) NPSR1MAPTKDM4EATMHCAR2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606614-B1 Nonatetraenoic acid derivative HOFFMANN LA ROCHE (CH) 1997-03-19 EP disclosed
EP-0606614-A1 Nonatetraenoic acid derivative F. HOFFMANN-LA ROCHE AG (CH) 1994-07-20 EP disclosed
EP-0510473-A1 Thienyl-nonatetraenoic acid derivatives with anti-rheumatic activity F. HOFFMANN-LA ROCHE AG (CH) 1992-10-28 EP disclosed
US-4894480-A Phenyl substituted-2,4,6,8-nonatetraenoic acid HOFFMANN-LA ROCHE INC. (US) 1990-01-16 US disclosed
US-4883613-A TREATMENT OF RHEUMATOID ARTHRITIS, IMMUNOSUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1989-11-28 US disclosed
US-4883614-A TREATMENT OF RHEUMATOID ARTHRITIS, IMMUNOSUPPRESSANTS HOFFMAN-LA ROCHE INC. (US) 1989-11-28 US disclosed
US-4780251-A ANTIRHEUMATIC AGENTS, IMMUNOSUPPRESSANTS HOFFMAN-LA ROCHE INC. (US) 1988-10-25 US disclosed
US-4656310-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-04-07 US disclosed
US-4648996-A ANTIRHEUMATIC AGENTS, IMMUNOSUPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1987-03-10 US disclosed
US-4532355-A Substituted triaryl phosphonium derivatives HOFFMANN-LA ROCHE INC. (US) 1985-07-30 US disclosed
US-4187247-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 US disclosed
US-4169100-A FLUORO AND TRIFLUOROMETHYL SUBSTITUTED 9-(4-ALKOXY-2,3,6-TRIALKYLPHENYL)-2,4,6,8-NONATETRAENOIC ACIDS, ESTERS AND AMIDES, ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-09-25 US disclosed
US-4163103-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-07-31 US disclosed
US-4137246-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-01-30 US disclosed
US-4116975-A 9-THIENYL-3,7-DIMETHYLNONA-2,4,6,8-TETRAENES, ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1978-09-26 US disclosed
US-4107190-A ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1978-08-15 US disclosed
US-4105681-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed
US-4061656-A ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1977-12-06 US disclosed
US-4054589-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-10-18 US disclosed
US-3984440-A FOR NEOPLASIAS, DERMATOSES, INFLAMMATION AND ALLERGIES HOFFMANN-LA ROCHE INC. (US) 1976-10-05 US disclosed