SCHEMBL4802158

SCHEMBL4802158

O=C(O)C(CCCCCCO)CCCCCCCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
AKR1A1 P14550 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
FOLH1 Q04609 6/20 0.52
CPB2 Q96IY4 5/20 0.48
GPR84 Q9NQS5 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CA2 P00918 1/20 0.44
MAPK1 P28482 1/20 0.44
GRIK1 P39086 2/20 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
SCHEMBL9476798 1.00 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7029236 0.97 CHRM1 (0.55) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14764160 0.92 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
Ammonia Solution, Strong SCHEMBL9817997 0.92 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8984511 0.91 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5519471 0.91 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3688450 0.91 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8984374 0.91 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3833693 0.91 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5524593 0.91 CHRM1 (0.70) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080268511-A1 Biooxidation capabilities of Candida sp EIRICH L DUDLEY 2008-10-30 US disclosed
US-20080261283-A1 Biooxidation capabilities of Candida sp EIRICH L DUDLEY 2008-10-23 US disclosed
US-7405063-B2 Biooxidation capabilities of Candida sp COGNIS CORPORATION (US) 2008-07-29 US disclosed
US-20050181491-A1 Biooxidation capabilities of candida sp COGNIS IP MANAGEMENT GMBH (DE) 2005-08-18 US disclosed
US-20020061566-A1 Biooxidation capabilities of candida sp COGNIS CORPORATION (COGNIS CORP.) 2002-05-23 US disclosed