SCHEMBL27365510

SCHEMBL27365510

C=CCCC(=O)O.CC=CCC(=O)O.CCC=CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
CYP19A1 P11511 4/20 0.43
OXER1 Q8TDS5 4/20 0.43
PPARG P37231 3/20 0.43
RXRA P19793 2/20 0.43
FFAR1 O14842 2/20 0.43
ABCC4 O15439 1/20 0.42
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
PPARA Q07869 3/20 0.38
PTGS1 P23219 3/20 0.38
KMT2A Q03164 2/20 0.38
PPARD Q03181 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALOX15 P16050 3/20 0.36
LMNA P02545 2/20 0.36
RECQL P46063 2/20 0.36
BLM P54132 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL17474642 0.92 MAPT (0.50) ALDH1A1MAPTCYP19A1OXER1PPARG
SCHEMBL17474641 0.92 MAPT (0.50) ALDH1A1MAPTCYP19A1OXER1PPARG
SCHEMBL8021173 0.88 ALDH1A1 (0.44) ALDH1A1MAPTCYP19A1OXER1PPARG
SCHEMBL8021175 0.88 ALDH1A1 (0.44) ALDH1A1MAPTCYP19A1OXER1PPARG
Crotonic Acid SCHEMBL28077513 0.81 MAPT (0.52) ALDH1A1MAPTCYP19A1OXER1PPARG
SCHEMBL8912587 0.75 TSHR (0.44) ALDH1A1MAPTPPARATDP1NPSR1
Butadiene SCHEMBL16290288 0.72 TSHR (0.44) ALDH1A1MAPTCYP19A1OXER1PPARG
Butadiene SCHEMBL16290286 0.72 TSHR (0.44) ALDH1A1MAPTCYP19A1OXER1PPARG
Crotonic Acid SCHEMBL28091920 0.72 TSHR (0.44) ALDH1A1MAPTCYP19A1OXER1PPARG
SCHEMBL34656 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066054-A The method of preparing hexadiacid by hydro-carboxylation of pentenoic acid RHONE POULENC CHIMIE (FR) 1992-11-11 CN disclosed