SCHEMBL873768

SCHEMBL873768

CCCCC(C)CC(O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DNM1 Q05193 2/20 0.36
TSHR P16473 1/20 0.36
FDPS P14324 1/20 0.36
OPRM1 P35372 1/20 0.35
CA2 P00918 2/20 0.34
MAPK1 P28482 1/20 0.34
ADRB2 P07550 4/20 0.34
GPR84 Q9NQS5 2/20 0.33
CA1 P00915 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
SCHEMBL28715375 0.92 ACE2 (0.47) ACE2SPHK1FDPSOPRM1GPR84
SCHEMBL29141234 0.90 SPHK1 (0.50) ACE2SPHK1OPRM1GPR84
SCHEMBL31506473 0.90 SPHK1 (0.50) ACE2SPHK1OPRM1GPR84
SCHEMBL1964287 0.85 TSHR (0.44) ACE2SPHK1TSHR
SCHEMBL1658455 0.84 ACE2 (0.39) ACE2SPHK1ALDH1A1DNM1TSHR
SCHEMBL1434039 0.83
SCHEMBL5351553 0.83
SCHEMBL2504628 0.83 DNM1 (0.43) ACE2ALDH1A1DNM1TSHRFDPS
SCHEMBL8719050 0.82 SPHK1 (0.32) ACE2SPHK1ALDH1A1
SCHEMBL1966550 0.82 TSHR (0.36) ACE2SPHK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3895651-A1 ELASTOMER THERMOPLASTIC ANTIMICROBIAL FILM, COMPOSITION AND MANUFACTURING METHOD FOR OBTAINING SAME Hexis (FR) 2021-10-20 EP disclosed
EP-2618856-A1 DEODORANT COMPOSITION FOR SULFIDES Takasago International Corporation (JP) 2013-07-31 EP disclosed
WO-2012039516-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-29 WO disclosed