SCHEMBL11030342

SCHEMBL11030342

CCCCC(C(=O)O)C(C)(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KIF11 P52732 3/20 0.43
HSPD1 P10809 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
CA2 P00918 1/20 0.43
CNR2 P34972 1/20 0.42
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
POLB P06746 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL4958072 0.90 KIF11 (0.45) MAPTKMT2AKIF11CNR2PRSS1
SCHEMBL27870287 0.87 MAPK1 (0.44) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL28724117 0.86 BLM (0.48) MEN1ALDH1A1MAPTKMT2AHSPD1
SCHEMBL9720361 0.86 HSPD1 (0.40) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL10904085 0.84 TDP1 (0.44) MEN1ALDH1A1KMT2ASMN1; SMN2CA2
Ammonia Solution, Strong SCHEMBL9720349 0.84 TBXAS1 (0.39) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL9720312 0.84 TBXAS1 (0.50) POLBTBXAS1
Ammonia Solution, Strong SCHEMBL9720296 0.83 TBXAS1 (0.49) POLBTBXAS1
SCHEMBL30375954 0.82 KIF11 (0.43) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL9720372 0.80 HSPD1 (0.40) MAPK1MEN1ALDH1A1MAPTKMT2A

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
EP-0064326-B1 FLAVOUR-RELEASE COMPOSITIONS PHILIP MORRIS INCORPORATED (US) 1985-05-15 EP claimed