SCHEMBL8991876

SCHEMBL8991876

C=C(CCCC)C(=O)O.C=C(Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CNR2 P34972 2/20 0.45
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
HDAC3 O15379 1/20 0.44
EPHX2 P34913 1/20 0.43
AKR1B1 P15121 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40

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
Allylbenzene SCHEMBL8926545 0.84 ALDH1A1 (0.45) MEN1KMT2ACES2CES1HDAC3
SCHEMBL41907 0.84 CES1 (0.58) MEN1KMT2ACES2CES1EPHX2
SCHEMBL27564061 0.82 CES1 (0.56) MEN1KMT2ACES2CES1EPHX2
Bromide SCHEMBL11497452 0.82 CES1 (0.56) MEN1KMT2ACES2CES1EPHX2
Hydrochloric Acid SCHEMBL27862997 0.82 CES1 (0.56) MEN1KMT2ACES2CES1EPHX2
Methacrylic Acid SCHEMBL4625270 0.80 CES1 (0.50) MEN1KMT2ACES2CES1EPHX2
Styrene SCHEMBL17065130 0.80 LMNA (0.47) MEN1KMT2ACES2CES1HDAC3
Styrene SCHEMBL5270544 0.80 LMNA (0.47) MEN1KMT2ACES2CES1HDAC3
Styrene SCHEMBL258132 0.80 LMNA (0.47) MEN1KMT2ACES2CES1HDAC3
SCHEMBL10770686 0.80 CES2 (0.53) MEN1KMT2ACES2CES1POLB

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-5483003-A Thermoplastically processible elastomers with improved optical properties ROEHM GMBH CHEMISCHE FABRIK (DE) 1996-01-09 US disclosed