SCHEMBL30499682

SCHEMBL30499682

CCN(C(=O)NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.40
RORC P51449 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL7603438 1.00 S1PR1 (0.40) S1PR1RORCTP53CYP3A4ALDH1A1
SCHEMBL9352868 0.87 ALDH1A1 (0.43) TP53CYP3A4ALDH1A1HPGDJAK2
SCHEMBL7604538 0.86 CYP3A4 (0.49) RORCTP53CYP3A4ALDH1A1HPGD
SCHEMBL9349033 0.86 LMNA (0.39) TP53ALDH1A1HPGDMEN1KMT2A
SCHEMBL7605876 0.84 TP53 (0.42) RORCTP53CYP3A4ALDH1A1HPGD
SCHEMBL7607641 0.83 TP53 (0.41) RORCTP53CYP3A4ALDH1A1HPGD
SCHEMBL9350203 0.83 ALDH1A1 (0.42) RORCTP53CYP3A4ALDH1A1HPGD
SCHEMBL7606197 0.82 GPBAR1 (0.44) RORCCYP3A4ALDH1A1HPGDJAK2
SCHEMBL30499675 0.82 GPBAR1 (0.44) RORCCYP3A4ALDH1A1HPGDJAK2
SCHEMBL7603579 0.82 HDAC8 (0.47) RORCTP53CYP3A4ALDH1A1MEN1

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-111988996-B Improving yield of nut bearing plants UPL有限责任公司 2023-07-14 CN disclosed