SCHEMBL29643471

SCHEMBL29643471

C=CC(C)(C)c1cc(C(C)(C)C)ccc1OOP(=O)(O)OOc1ccc(C(C)(C)C)cc1C(C)(C)C.C=CC(C)(C)c1cc(C(C)(C)C)ccc1OOP(=O)(O)OOc1ccc(C(C)(C)C)cc1C(C)(C)C.[Al]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.33
▸ PTPN1 P18031 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
Water SCHEMBL31175692 0.96 APEX1 (0.33) APEX1PTPN1KMT2ATRPV1CA1
SCHEMBL28347864 0.88 APEX1 (0.39) APEX1KMT2ATRPV1CA1CA2
SCHEMBL4650194 0.80 APEX1 (0.39) APEX1KMT2ATRPV1CA1CA2
SCHEMBL2216548 0.75 APEX1 (0.40) APEX1KMT2ATRPV1CA1CA2
SCHEMBL31166022 0.74 CA1 (0.38) APEX1KMT2ATRPV1CA1CA2
SCHEMBL1276516 0.73 APEX1 (0.40) APEX1KMT2ATRPV1CA1CA2
SCHEMBL29373261 0.73 APEX1 (0.40) APEX1KMT2ATRPV1CA1CA2
SCHEMBL31185996 0.73 CA1 (0.37) APEX1TRPV1CA1CA2CA9
SCHEMBL31376913 0.73 CA1 (0.37) APEX1KMT2ATRPV1CA1CA2
SCHEMBL21541942 0.72 INPPL1 (0.44) APEX1TRPV1CA1CA2CA9

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-112873670-B Polypropylene film insulation characteristic improving method based on crystallization morphology regulation and control 天津大学 2022-05-17 — — CN disclosed
Send feedback