SCHEMBL9860547

SCHEMBL9860547

CCCCCC/C=C(/C)I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.50
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
FAAH O00519 3/20 0.39
TRPV1 Q8NER1 1/20 0.39
TERT O14746 3/20 0.39
MAPT P10636 2/20 0.39
BLM P54132 2/20 0.39
HSD17B10 Q99714 2/20 0.39
FABP4 P15090 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL9860551 1.00 EP300 (0.50) EP300TSHRTHRBKMT2AMEN1
SCHEMBL15726342 0.90
SCHEMBL28023935 0.82 TSHR (0.52) EP300TSHRTHRBKMT2AFAAH
SCHEMBL28023490 0.82 TSHR (0.52) EP300TSHRTHRBKMT2AFAAH
SCHEMBL4049620 0.82 TSHR (0.52) EP300TSHRTHRBKMT2AFAAH
SCHEMBL16970381 0.80 EP300 (0.56) EP300TSHRKMT2AFAAHTERT
SCHEMBL1416712 0.79 EP300 (0.54) EP300TSHRTHRBKMT2AMEN1
SCHEMBL5613352 0.79 EP300 (0.54) EP300TSHRTHRBKMT2AMEN1
SCHEMBL5613296 0.79 EP300 (0.54) EP300TSHRTHRBKMT2AMEN1
SCHEMBL5613189 0.79 EP300 (0.54) EP300TSHRTHRBKMT2AMEN1

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
US-4996340-A Using organoaluminum compounds to produce stereospecific conjugated olefins ETHYL CORPORATION (US) 1991-02-26 US disclosed