SCHEMBL9518462

SCHEMBL9518462

O=C(O)CP(c1ccccc1)c1ccccc1.[Ni]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.41
KEAP1 Q14145 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
APEX1 P27695 2/20 0.38
ALOX15 P16050 3/20 0.37
FFAR1 O14842 2/20 0.37
NR4A2 P43354 1/20 0.37
CES1 P23141 3/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CES2 O00748 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.35
ABCC4 O15439 1/20 0.35
LMNA P02545 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
SCHEMBL1009627 0.98 AKR1B1 (0.42) AKR1B1KEAP1KDM4ECYP3A4TDP1
SCHEMBL27550664 0.95 AKR1B1 (0.41) AKR1B1KEAP1KDM4ECYP3A4TDP1
Ammonia Solution, Strong SCHEMBL31339446 0.95 AKR1B1 (0.41) AKR1B1KEAP1KDM4ECYP3A4TDP1
SCHEMBL28768934 0.95 AKR1B1 (0.41) AKR1B1KEAP1KDM4ECYP3A4TDP1
SCHEMBL28307265 0.93 AKR1B1 (0.39) AKR1B1KEAP1KDM4ECYP3A4TDP1
SCHEMBL6903087 0.83 CYP3A4 (0.39) AKR1B1KEAP1KDM4ECYP3A4TDP1
Styrene SCHEMBL9068044 0.82 ALDH1A1 (0.50) CYP3A4TDP1SMN1; SMN2MAPTTSHR
SCHEMBL9389962 0.79 MAPT (0.41) AKR1B1KDM4ECYP3A4TDP1ALOX15
SCHEMBL4861260 0.79 ALDH1A1 (0.43) AKR1B1KDM4ECYP3A4TDP1ALOX15
SCHEMBL9000826 0.78 AKR1B1 (0.42) AKR1B1KEAP1KDM4ECYP3A4TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112391023-B Heat-sealing film based on propylene copolymer and preparation method thereof 杭州星点包装材料有限公司 2022-04-29 CN disclosed
CN-112391023-A Heat-sealing film based on propylene copolymer and preparation method thereof 杭州星点包装材料有限公司 2021-02-23 CN disclosed
EP-0327743-B1 PROCEDURE FOR MANUFACTURING SHORT-CHAIN LINEAR ALPHA- OLEFINES FROM ETHYLENE NESTE OY (FI) 1993-01-20 EP disclosed
EP-0327743-A1 Procedure for manufacturing short-chain linear alpha- olefines from ethylene NESTE OY (FI) 1989-08-16 EP disclosed
US-4816610-A CATALYTIC DIMERIZATION NESTE OY (FI) 1989-03-28 US disclosed