SCHEMBL8939043

SCHEMBL8939043

CCCC(C)CC(CCC)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.65
AKR1A1 P14550 1/20 0.65
CHRM3 P20309 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
ADRA1A P35348 1/20 0.65
HRH1 P35367 1/20 0.65
DRD3 P35462 1/20 0.65
SLC6A3 Q01959 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC2 Q92769 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
SLC1A2 P43004 6/20 0.61
SLC1A1 P43005 5/20 0.61
SLC1A3 P43003 5/20 0.61
GRIK1 P39086 4/20 0.61
GRIK2 Q13002 4/20 0.61
CA2 P00918 1/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 3/20 0.44

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
SCHEMBL28183559 0.90 SLC1A2 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12950310 0.89 CHRM1 (0.56) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1389587 0.89 CHRM1 (0.62) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12611015 0.88 CHRM1 (0.83) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8360190 0.86 GRIK1 (0.64) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29067689 0.86 ACE2 (0.59) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3993617 0.85 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1198439 0.85 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11880015 0.85 CHRM1 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3994575 0.85 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583015-A CULTURING MUTANT STRAIN OF STREPTOMYCES AVERMITILIS LACKING BRANCHED CHAIN AMINO ACID TRANSAMINASE AND/OR 2-OXO ACID DEHYDROGENASE ACTIVITY UNDER AEROBIC CONDITIONS IN AQUEOUS NUTRIENT MEDIUM CONTAINING SPECIFIED ACID OR PRECURSOR PFIZER INC. (US) 1996-12-10 US disclosed
US-5576199-A CULTURE OF STREPTOMYCES UNDER AEROBIC CONDITIONS IN NUTRIENTS PFIZER INC. (US) 1996-11-19 US disclosed
US-5565359-A STREPTOMYCES CULTURED UNDER AEROBIC CONDITIONS IN NUTRIENT MEDIA CONTAINING AN ACID PFIZER INC. (US) 1996-10-15 US disclosed
US-5525506-A Process for production of avermectins and cultures therefor PFIZER INC. (US) 1996-06-11 US disclosed
US-5238848-A Cultures for production of avermectins PFIZER INC (US) 1993-08-24 US disclosed
US-5234831-A From Streptomyces PFIZER INC (US) 1993-08-10 US disclosed
US-5026643-A On carboxylic acid substrate PFIZER INC. (US) 1991-06-25 US disclosed
US-4929638-A INSECTICIDES, ANTHELMINTICS PFIZER INC. (US) 1990-05-29 US disclosed
US-4927847-A PARASITICIDES PFIZER INC. (US) 1990-05-22 US disclosed