SCHEMBL8939046

SCHEMBL8939046

CCC[C@H](C)[C@@](C)(CCC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL8939038 1.00 CHRM1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL22122662 0.88 CA2 (0.44) ACACBACACACA2MAPK1CTSS
SCHEMBL1716224 0.85 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12113778 0.85 CA2 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7701700 0.82 CYP2D6 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1028185 0.80 TSHR (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29270029 0.79 ACE2 (0.46) ACACBACACACA2GRIK1GRIK2
SCHEMBL8570869 0.78 ACACB (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
Heptanoate SCHEMBL27494270 0.78 GPR84 (0.52) TDP1TSHRNPSR1ALDH1A1LMNA
SCHEMBL1245572 0.76 CHRM1 (0.42) 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