SCHEMBL28529982

SCHEMBL28529982

CCC(c1ccccc1)[PH](=O)O.[AlH3]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
POLB P06746 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HKDC1 Q2TB90 1/20 0.38
TRPA1 O75762 1/20 0.38
AOC3 Q16853 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.35
SRC P12931 1/20 0.35
MIF P14174 1/20 0.35

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
SCHEMBL11033981 0.98 LMNA (0.48) LMNAPOLBMEN1KMT2AHSD17B10
SCHEMBL28539294 0.85 AOC3 (0.42) LMNAPOLBMEN1KMT2AAOC3
SCHEMBL7925354 0.82 AOC3 (0.43) LMNAPOLBMEN1KMT2AAOC3
SCHEMBL28910962 0.82 POLB (0.45) LMNAPOLBALDH1A1KDM4E
SCHEMBL25332336 0.79 POLB (0.46) LMNAPOLBALDH1A1KDM4E
SCHEMBL25333708 0.78 LMNA (0.42) LMNAPOLBTRPA1AOC3ALDH1A1
SCHEMBL25332107 0.78 NAAA (0.42) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL2319938 0.78 OPRM1 (0.45) LMNAHSD17B10ALDH1A1KDM4ETSHR
SCHEMBL15264007 0.78 SRC (0.37) LMNAPOLBKDM4ECYP2D6SRC
SCHEMBL25331936 0.77 NAAA (0.44) LMNAPOLBMEN1KMT2AALDH1A1

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
CN-112778511-A Catalyst composition for polyester production process 科莱恩塑料和涂料有限公司 2021-05-11 CN disclosed
CN-107075097-B Catalyst composition for polyester production process 科莱恩塑料和涂料有限公司 2021-02-05 CN disclosed