SCHEMBL8868294

SCHEMBL8868294

CCCCCCC1(C(=O)O)CC=CC=C1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
PLA2G4B P0C869 1/20 0.33
TSHR P16473 4/20 0.31
PLA2G2A P14555 1/20 0.31
TP53 P04637 1/20 0.31
SCD O00767 1/20 0.30
PPARG P37231 4/20 0.30
PPARD Q03181 4/20 0.30
PPARA Q07869 4/20 0.30
GPR84 Q9NQS5 3/20 0.30
HDAC11 Q96DB2 3/20 0.30
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30
TLR2 O60603 1/20 0.30
MEN1 O00255 1/20 0.30
ESR1 P03372 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL6281947 0.70 DNTT (0.33) TSHRPLA2G2ATP53
SCHEMBL5645954 0.67 GPR84 (0.36) TSHRPPARGPPARDPPARAGPR84
SCHEMBL5646162 0.67 GPR84 (0.36) TSHRPPARGPPARDPPARAGPR84
SCHEMBL5648481 0.67 GPR84 (0.36) TSHRPPARGPPARDPPARAGPR84
SCHEMBL5643378 0.67 GPR84 (0.36) TSHRPPARGPPARDPPARAGPR84
SCHEMBL5644363 0.67 GPR84 (0.36) TSHRPPARGPPARDPPARAGPR84
SCHEMBL5648179 0.67 GPR84 (0.36) TSHRPPARGPPARDPPARAGPR84
SCHEMBL5644553 0.67 GPR84 (0.36) TSHRPPARGPPARDPPARAGPR84
SCHEMBL5644317 0.67 GPR84 (0.36) TSHRPPARGPPARDPPARAGPR84
SCHEMBL5646346 0.67 GPR84 (0.36) TSHRPPARGPPARDPPARAGPR84

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
US-5599966-A SUITABLE FOR TREATMENT OF DISEASES OF RESPIRATORY PASSAGES BYK NEDERLAND BV (NL) 1997-02-04 US disclosed
EP-0664788-A1 SUBSTITUTED ETHANOLAMINE ESTERS Byk Nederland BV (NL) 1995-08-02 EP disclosed
WO-1994008945-A1 SUBSTITUTED ETHANOLAMINE ESTERS BYK NEDERLAND BV (NL) 1994-04-28 WO disclosed