SCHEMBL20184151

SCHEMBL20184151

O=C(O)/C(=C\c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 6/20 0.75
HTT P42858 3/20 0.73
ALDH1A1 P00352 3/20 0.73
AKR1C3 P42330 8/20 0.67
AKR1C2 P52895 5/20 0.67
POLB P06746 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1B1 Q16678 1/20 0.54
PTGS2 P35354 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL7814861 1.00 AKR1C1 (0.75) AKR1C1HTTALDH1A1AKR1C3AKR1C2
SCHEMBL7814857 0.93 AKR1C1 (0.75) AKR1C1HTTALDH1A1AKR1C3AKR1C2
SCHEMBL11328602 0.93 AKR1C1 (0.75) AKR1C1HTTALDH1A1AKR1C3AKR1C2
SCHEMBL10950320 0.92 ALDH1A1 (0.83) AKR1C1HTTALDH1A1AKR1C3AKR1C2
SCHEMBL10950323 0.92 ALDH1A1 (0.83) AKR1C1HTTALDH1A1AKR1C3AKR1C2
SCHEMBL181529 0.86 AKR1C1 (1.00) AKR1C1HTTALDH1A1AKR1C3AKR1C2
SCHEMBL290469 0.86 AKR1C1 (1.00) AKR1C1HTTALDH1A1AKR1C3AKR1C2
SCHEMBL39275 0.86 AKR1C1 (1.00) AKR1C1HTTALDH1A1AKR1C3AKR1C2
SCHEMBL1695651 0.86 ALDH1A1 (0.73) AKR1C1HTTALDH1A1AKR1C3AKR1C2
SCHEMBL11079773 0.86 HTT (0.55) AKR1C1HTTALDH1A1AKR1C3AKR1C2

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-3326980-A1 HEAT RAY SHIELDING PARTICLE CONTAINING COMPOSITION AND HEAT RAY SHIELDING FILM Evonik Degussa GmbH (DE) 2018-05-30 EP claimed
EP-3326980-A1 HEAT RAY SHIELDING PARTICLE CONTAINING COMPOSITION AND HEAT RAY SHIELDING FILM Evonik Degussa GmbH (DE) 2018-05-30 EP disclosed