SCHEMBL28004231

SCHEMBL28004231

C=CC=CCCC(=O)O.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP19A1 P11511 1/20 0.43
RXRA P19793 1/20 0.43
PPARG P37231 1/20 0.43
OXER1 Q8TDS5 1/20 0.43
ABCC4 O15439 1/20 0.41
FASN P49327 1/20 0.39
LMNA P02545 3/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
BLM P54132 2/20 0.35
CYP2C19 P33261 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2232655 0.98
SCHEMBL5606250 0.98
SCHEMBL28323505 0.88 FASN (0.42) MAPTFFAR1ALDH1A1CYP19A1RXRA
SCHEMBL14161541 0.85 ALDH1A1 (0.59) MAPTFFAR1ALDH1A1CYP19A1RXRA
SCHEMBL11000998 0.84 FASN (0.52) MAPTALDH1A1CYP19A1RXRAPPARG
SCHEMBL11001012 0.84 FASN (0.52) MAPTALDH1A1CYP19A1RXRAPPARG
SCHEMBL28713632 0.82 FASN (0.60) MAPTFFAR1CYP19A1PPARGOXER1
SCHEMBL634763 0.82 FASN (0.60) MAPTFFAR1CYP19A1PPARGOXER1
SCHEMBL634762 0.82 FASN (0.60) MAPTFFAR1CYP19A1PPARGOXER1
SCHEMBL11580318 0.82 ALDH1A1 (0.52) MAPTFFAR1ALDH1A1CYP19A1RXRA

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-104321431-A Retro Diels Alder reaction as cleavable linker in DNA/RNA applications AGILENT TECHNOLOGIES INC 2015-01-28 CN disclosed