SCHEMBL8530902

SCHEMBL8530902

CCCCCCCCCCC(OCCOCCO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.44
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 1/20 0.43
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
ACE2 Q9BYF1 1/20 0.40
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9616061 0.90 GPR84 (0.48) MAPTMEN1KMT2ATHRBHTT
SCHEMBL624713 0.89 HMGCR (0.45) MAPTMEN1KMT2ATHRBHTT
SCHEMBL7647487 0.88 GPR84 (0.43) MAPTMEN1KMT2ATHRBHTT
SCHEMBL7647162 0.88 GPR84 (0.43) MAPTMEN1KMT2ATHRBHTT
SCHEMBL6895058 0.88 GPR84 (0.43) MAPTMEN1KMT2ATHRBHTT
SCHEMBL7653752 0.88 GPR84 (0.43) MAPTMEN1KMT2ATHRBHTT
SCHEMBL7652116 0.88 GPR84 (0.43) MAPTMEN1KMT2ATHRBHTT
SCHEMBL7646223 0.88 GPR84 (0.43) MAPTMEN1KMT2ATHRBHTT
SCHEMBL7651342 0.88 GPR84 (0.43) MAPTMEN1KMT2ATHRBHTT
SCHEMBL580751 0.84 GPR84 (0.46) MAPTMEN1KMT2ATSHRGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705182-A BACTERICIDES ADDED TO TAMPONS MCNEIL-PPC, INC. (US) 1998-01-06 US disclosed
US-5679369-A MONO- AND DIESTERS OF POLYHYDRIC ALIPHATIC ALCOHOL AND A FATTY ACID; PREVENTION OF TOXIC SHOCK SYNDROME MCNEIL-PPC, INC. (US) 1997-10-21 US disclosed
US-5641503-A Additives to tampons MCNEIL-PPC, INC. (US) 1997-06-24 US disclosed
EP-0395099-A2 Additives to tampons McNEIL-PPC, INC. (US) 1990-10-31 EP disclosed