SCHEMBL14416435

SCHEMBL14416435

CCC[C@@]1(CCc2ccccc2)CC(O)=C(CCC(=O)O)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
ADRA1A P35348 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
PGR P06401 1/20 0.40
CTSD P07339 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
PGA5 P0DJD9 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CTSE P14091 1/20 0.40
GABRA1 P14867 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
AGTR1 P30556 1/20 0.40
CCKAR P32238 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL14420641 0.92 ALDH1A1 (0.44) ADRA1ASLC6A3MLNRNR1I2ABCB11
SCHEMBL14416414 0.89 MLNR (0.40) ADRA1ASLC6A3MLNRNR1I2ABCB11
SCHEMBL9199813 0.88 MLNR (0.41) ADRA1ASLC6A3MLNRNR1I2ABCB11
SCHEMBL8805739 0.80 HTR2B (0.40) ADRA1ASLC6A3MLNRNR1I2ABCB11
SCHEMBL3632231 0.80 HTR2B (0.40) ADRA1ASLC6A3MLNRNR1I2ABCB11
SCHEMBL6174816 0.79 MLNR (0.47) ADRA1ASLC6A3MLNRNR1I2ABCB11
SCHEMBL8807543 0.79 MLNR (0.43) ADRA1ASLC6A3MLNRNR1I2ABCB11
SCHEMBL8657838 0.78 MLNR (0.37) ADRA1ASLC6A3MLNRNR1I2ABCB11
SCHEMBL8807004 0.77 MLNR (0.41) ADRA1ASLC6A3MLNRNR1I2ABCB11
SCHEMBL8806724 0.77 OPRD1 (0.40) ADRA1ASLC6A3MLNRNR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070218486-A1 Immunoassays, Haptens, Immunogens and Antibodies for Anti-HIV Therapeutics ARK DIAGNOSTICS, INC. (US) 2007-09-20 US disclosed
US-20070218486-A1 Immunoassays, Haptens, Immunogens and Antibodies for Anti-HIV Therapeutics ARK DIAGNOSTICS, INC. (US) 2007-09-20 US disclosed