SCHEMBL8523520

SCHEMBL8523520

O=C(O)CCCCC(=O)OC(O)CCCCC(O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.42
FFAR1 O14842 2/20 0.42
LMNA P02545 4/20 0.41
GSTK1 Q9Y2Q3 2/20 0.40
TSHR P16473 2/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
ENPEP Q07075 1/20 0.39
ALDH1A1 P00352 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.36
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL3969050 0.98 FFAR4 (0.44) FFAR4FFAR1LMNAGSTK1TSHR
SCHEMBL21633939 0.91 LMNA (0.42) FFAR4FFAR1LMNAGSTK1TSHR
SCHEMBL11021433 0.91 GSTK1 (0.44) FFAR4FFAR1LMNAGSTK1TSHR
SCHEMBL28688931 0.89 LMNA (0.44) FFAR4FFAR1LMNAGSTK1TSHR
SCHEMBL7262396 0.87 FFAR4 (0.54) FFAR4FFAR1LMNATSHRALDH1A1
SCHEMBL6284823 0.87 FFAR4 (0.54) FFAR4FFAR1LMNATSHRALDH1A1
SCHEMBL8661641 0.86 FFAR1 (0.55) FFAR4FFAR1LMNAGSTK1TSHR
SCHEMBL630306 0.86 FFAR4 (0.61) FFAR4FFAR1LMNATSHRALDH1A1
SCHEMBL9875093 0.86 FFAR1 (0.55) FFAR4FFAR1LMNAGSTK1TSHR
SCHEMBL28830391 0.86 FFAR1 (0.55) FFAR4FFAR1LMNAGSTK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908894-A CROSSLINKING; BLEND CONTAINING CHAIN EXTENDERS, CATALYST; COMMINUTED FORM BASF AKTIENGESELLSCHAFT (DE) 1999-06-01 US disclosed
US-5554731-A OXIDIZING MERCAPTO COMPOUND TO FORM SULFONYL COMPOUND; SULFATION BAYER AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
US-5432266-A Fiber-reactive monoazo and disazo dyes BAYER AKTIENGESELLSCHAFT (DE) 1995-07-11 US disclosed
EP-0051211-B1 USE OF CARBONIC-ACID/CARBAMIC-ACID ANHYDRIDES AS CO2-CLEAVING BLOWING AGENTS IN THE PRODUCTION OF CELLULAR OR FOAM-LIKE PLASTICS BAYER AG (DE) 1984-12-19 EP disclosed
EP-0051211-A1 Use of carbonic-acid/carbamic-acid anhydrides as CO2-cleaving blowing agents in the production of cellular or foam-like plastics BAYER AG (DE) 1982-05-12 EP disclosed
US-4189467-A COLLARS BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed
US-4132840-A Process for coloring polyurethane foams BAYER AKTIENGESELLSCHAFT (DE) 1979-01-02 US disclosed