SCHEMBL7519676

SCHEMBL7519676

CC=CCCCC=COC(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 1/20 0.31
PPARG P37231 4/20 0.31
ALDH1A1 P00352 3/20 0.31
PPARD Q03181 3/20 0.31
PPARA Q07869 3/20 0.31
F7 P08709 2/20 0.31
CYP19A1 P11511 2/20 0.31
F3 P13726 2/20 0.31
PTGS1 P23219 2/20 0.31
KMT2A Q03164 2/20 0.31
RXRA P19793 1/20 0.31
OXER1 Q8TDS5 1/20 0.31
BLM P54132 3/20 0.30
USP2 O75604 2/20 0.30
CYP3A4 P08684 2/20 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
SCHEMBL4962468 0.81 ALDH1A1 (0.44) PPARGALDH1A1PPARDPPARAF7
SCHEMBL3194497 0.79 SOAT1 (0.34) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL15434629 0.79 TAS1R3 (0.32)
SCHEMBL7512856 0.76 ADORA3 (0.39) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL6434894 0.76 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL6434897 0.76 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL2436374 0.75 ELANE (0.32)
SCHEMBL2436376 0.75 ELANE (0.32)
SCHEMBL30504370 0.74 PRKCA (0.40) ACLYPOLBFAAHMGLL
SCHEMBL15413645 0.74 TSHR (0.37) ADORA3NR1I2PGRPTGS2PDE4D

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
EP-1165477-A1 METHOD FOR PRODUCING ALKAPOLYENYL COMPOUNDS USING CERTAIN COCATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
WO-2000059854-A1 METHOD FOR PRODUCING ALKAPOLYENYL COMPOUNDS USING CERTAIN COCATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2000-10-12 WO disclosed