SCHEMBL29985694

SCHEMBL29985694

O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[Na]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.76
MAPK1 P28482 1/20 0.76
CES2 O00748 3/20 0.65
CES1 P23141 3/20 0.65
HPGD P15428 2/20 0.64
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
NR4A1 P22736 1/20 0.56
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
GSK3B P49841 2/20 0.54
ELANE P08246 1/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL30010720 1.00 SRD5A2 (0.76) SRD5A2MAPK1CES2CES1HPGD
SCHEMBL1681512 0.97 SRD5A2 (0.80) SRD5A2MAPK1CES2CES1HPGD
SCHEMBL51827 0.97 SRD5A2 (0.80) SRD5A2MAPK1CES2CES1HPGD
SCHEMBL10697158 0.97 SRD5A2 (0.80) SRD5A2MAPK1CES2CES1HPGD
SCHEMBL9065412 0.97 SRD5A2 (0.80) SRD5A2MAPK1CES2CES1HPGD
Hydrochloric Acid SCHEMBL11704986 0.94 SRD5A2 (0.76) SRD5A2MAPK1CES2CES1HPGD
SCHEMBL30496095 0.90 MAPK1 (0.95) SRD5A2MAPK1CES2CES1HPGD
SCHEMBL12274592 0.89 SRD5A2 (0.70) SRD5A2MAPK1CES2CES1HPGD
SCHEMBL8967156 0.89 SRD5A2 (0.70) SRD5A2MAPK1CES2CES1HPGD
SCHEMBL1681878 0.89 SRD5A2 (0.70) SRD5A2MAPK1CES2CES1HPGD

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-115304525-A Green preparation method of sulfonated dihalogenated monomer 伍银清 2022-11-08 CN disclosed