SCHEMBL4080822

SCHEMBL4080822

O=C(O)c1ccccc1C(O)CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
KDM4E B2RXH2 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
NAPRT Q6XQN6 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
SCHEMBL28689312 0.91 ALDH1A1 (0.45) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL28056292 0.89 ALDH1A1 (0.44) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL11367881 0.85 ALDH1A1 (0.50) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL28259253 0.84 ALDH1A1 (0.50) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL769254 0.84 ALDH1A1 (0.45) ALDH1A1ALOX15GAAKMT2ATDP1
Ammonia Solution, Strong SCHEMBL10950071 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL23521275 0.82 KMT2A (0.50) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL29360777 0.82 KMT2A (0.50) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL23521291 0.82 KMT2A (0.50) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL1935639 0.82 KMT2A (0.50) ALDH1A1ALOX15GAAKMT2ATDP1

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-2084216-A1 RADIATION CURABLE HYBRID COMPOSITION AND PROCESS Cytec Surface Specialties, S.A. (BE) 2009-08-05 EP disclosed
WO-2008058849-A1 RADIATION CURABLE HYBRID COMPOSITION AND PROCESS CYTEC SURFACE SPECIALTIES, S.A. (BE) 2008-05-22 WO disclosed