SCHEMBL25752353

SCHEMBL25752353

C=CCOCC(COc1ccccc1)OCC(COCC=C)OCCOP(=O)(O)ON

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PLA2G2A P14555 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ PLA2G10 O15496 3/20 0.31
▸ PLA2G1B P04054 2/20 0.31
▸ PLA2G5 P39877 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ GAA P10253 2/20 0.30
▸ GLA P06280 1/20 0.30

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
SCHEMBL25587501 0.98 CASP1 (0.34) CASP1PKMCYP2C9CYP2C19PLA2G2A
SCHEMBL27438647 0.81 LMNA (0.36) PLA2G2ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL16437168 0.79 CYP2C9 (0.49) CASP1PKMCYP2C9CYP2C19SMN1; SMN2
SCHEMBL16437169 0.79 CYP2C9 (0.42) CASP1PKMCYP2C9CYP2C19SMN1; SMN2
SCHEMBL13085598 0.78 LMNA (0.37) PLA2G2ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14168750 0.75 LTA4H (0.41) PLA2G2AMEN1KMT2APLA2G10PLA2G1B
SCHEMBL2695272 0.74 PLA2G2A (0.34) PLA2G2AMEN1KMT2APLA2G10PLA2G1B
SCHEMBL13656373 0.74 ALDH1A1 (0.41) CASP1PLA2G2ASMN1; SMN2KDM4EMEN1
SCHEMBL24961174 0.73 CYP2D6 (0.44) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL24494610 0.73 LMNA (0.42) SMN1; SMN2KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030972-B2 Aqueous dispersion of polymeric composite microspheres ROHM AND HAAS COMPANY (US) 2024-07-09 — — US disclosed
US-12018167-B2 Aqueous composition of organic polymeric microspheres, binder particles, and ion exchange resin ROHM AND HAAS COMPANY (US) 2024-06-25 — — US disclosed
US-20230374332-A1 METHOD FOR TUNING GLOSS OR COLOR IN PAINT FORMULATIONS ROHM & HAAS (US) 2023-11-23 — — US disclosed
US-20230174801-A1 METHOD FOR TUNING GLOSS IN PAINT FORMULATIONS ROHM AND HAAS COMPANY (US) 2023-06-08 — — US disclosed
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