SCHEMBL30516652

SCHEMBL30516652

Cc1cc(Cc2ccc(Cl)cc2)c(C)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.39
TAAR1 Q96RJ0 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CNR2 P34972 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 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
SCHEMBL30557698 0.79 COMT (0.41) ALDH1A1TAAR1LMNAHTT
SCHEMBL13210488 0.77 IDH1 (0.41) ALDH1A1TAAR1NPC1
SCHEMBL11295155 0.72 MAPT (0.41) MAPTKMT2AMEN1ALDH1A1TAAR1
SCHEMBL30557659 0.72 PSMB5 (0.37) KMT2AMEN1
SCHEMBL30557723 0.70 HSD17B1 (0.42) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL28293841 0.69 ALDH1A1 (0.62) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL7999187 0.69
SCHEMBL11303064 0.68 MAPK1 (0.47) MAPTKMT2AMEN1ALDH1A1TAAR1
SCHEMBL24029803 0.68 SLC5A1 (0.46) MAPTKMT2AMEN1TAAR1RAB9A
SCHEMBL13339388 0.68 SLC6A2 (0.38) MAPTKMT2AMEN1ALDH1A1TAAR1

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-116529238-A Novel prostaglandin E 2 Compounds with receptor inhibiting activity and uses thereof 治纳辅医药科技有限公司 2023-08-01 CN disclosed