SCHEMBL28098734

SCHEMBL28098734

CCCC(=C(Cl)Cl)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.56
PTGS2 P35354 3/20 0.52
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
ESR2 Q92731 3/20 0.44
CYP19A1 P11511 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB2 P49721 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL3405445 0.88 PTGS2 (0.69) ESR1PTGS2CES2CES1ESR2
SCHEMBL4326009 0.86 ESR1 (0.64) ESR1PTGS2CES2CES1ESR2
SCHEMBL11129035 0.86 PTGS2 (0.61) ESR1PTGS2CES2CES1
SCHEMBL9310063 0.80 ESR1 (0.58) ESR1PTGS2CES2CES1ESR2
SCHEMBL9310232 0.80 ESR1 (0.58) ESR1PTGS2CES2CES1ESR2
SCHEMBL8615209 0.80 ESR1 (0.81) ESR1PTGS2ESR2CYP19A1PSMB1
SCHEMBL9247753 0.79 SMN1; SMN2 (0.46) ESR1HPGDSMN1; SMN2ALDH1A1
SCHEMBL9686785 0.79 ESR1 (0.45) ESR1ESR2LMNAALDH1A1
SCHEMBL9310269 0.78 ESR1 (0.56) ESR1PTGS2CES2CES1ESR2
SCHEMBL9317931 0.78 ESR1 (0.56) ESR1PTGS2CES2CES1ESR2

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
CN-105949607-A Solar cell back plate material 广西南宁智翠科技咨询有限公司 2016-09-21 CN disclosed