SCHEMBL4014787

SCHEMBL4014787

CCCCCC(C)(C)c1ccc(OCC2CO2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.64
TSHR P16473 3/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HIF1A Q16665 2/20 0.64
CYP1A2 P05177 1/20 0.64
PPARG P37231 1/20 0.64
TDP1 Q9NUW8 1/20 0.47
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CNR2 P34972 12/20 0.43

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
SCHEMBL7143958 0.88 ALDH1A1 (0.62) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL26703746 0.85 ALDH1A1 (0.56) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL3148691 0.84 TP53 (0.73) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL11995406 0.83 ALDH1A1 (0.82) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL19439759 0.81 ALDH1A1 (0.69) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL24556917 0.81 ALDH1A1 (0.60) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL10419046 0.81 ALDH1A1 (0.58) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL2828964 0.80 ALDH1A1 (0.47) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL19607361 0.80 ALDH1A1 (0.62) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL7120531 0.80 ALDH1A1 (0.62) TP53TSHRALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1736496-B1 Curing agent for coating compositions (III) COGNIS IP MAN GMBH (DE) 2009-04-08 EP disclosed
EP-1736496-A1 Curing agent for coating compositions (III) Cognis IP Management GmbH (DE) 2006-12-27 EP disclosed