SCHEMBL2704264

SCHEMBL2704264

O=C(/C=C(/O)C(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
LMNA P02545 3/20 0.59
GAA P10253 2/20 0.59
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CYP1B1 Q16678 1/20 0.46
POLB P06746 1/20 0.45
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SRD5A2 P31213 1/20 0.42
MAOB P27338 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL2704263 1.00 ALDH1A1 (0.59) ALDH1A1LMNAGAAALOX15TSHR
SCHEMBL2704266 1.00 ALDH1A1 (0.59) ALDH1A1LMNAGAAALOX15TSHR
SCHEMBL15455522 0.98 ALDH1A1 (0.57) ALDH1A1LMNAGAAALOX15TSHR
SCHEMBL15455523 0.98 ALDH1A1 (0.57) ALDH1A1LMNAGAAALOX15TSHR
SCHEMBL15461770 0.84 ALDH1A1 (0.45) ALDH1A1LMNAGAAALOX15TSHR
SCHEMBL22805567 0.83 NR4A2 (0.62) ALDH1A1LMNAGAAPOLBMAPT
SCHEMBL22805565 0.83 NR4A2 (0.62) ALDH1A1LMNAGAAPOLBMAPT
SCHEMBL7361301 0.82 NFE2L2 (0.57) ALDH1A1LMNAGAATSHRCYP1B1
SCHEMBL7361299 0.82 NFE2L2 (0.57) ALDH1A1LMNAGAATSHRCYP1B1
SCHEMBL12900918 0.82 NFE2L2 (0.57) ALDH1A1LMNAGAATSHRCYP1B1

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-2450387-A1 Photopolymer formulation for producing holographic media Bayer MaterialScience AG (DE) 2012-05-09 EP disclosed