SCHEMBL21979428

SCHEMBL21979428

CCCCC(c1ccccc1)C(C)C(=O)C(=O)/C=C/c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
EGFR P00533 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
BCHE P06276 7/20 0.42
POLB P06746 1/20 0.42
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ACHE P22303 5/20 0.41
TUBB4A P04350 2/20 0.40

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
SCHEMBL19244780 0.77 POLB (0.53) POLBMAPK1ALDH1A1CYP3A4CNR2
SCHEMBL28506327 0.76 POLB (0.51) POLBALDH1A1CYP3A4CNR2KDM4E
SCHEMBL907461 0.74 HDAC3 (0.44) HDAC3EGFRTDP1BCHEPOLB
SCHEMBL4583384 0.74 HDAC3 (0.44) HDAC3EGFRTDP1BCHEPOLB
SCHEMBL9111048 0.74 HDAC3 (0.51) HDAC3EGFRTDP1BCHEPOLB
SCHEMBL30037812 0.73 POLB (0.48) POLBALDH1A1CNR2
SCHEMBL29109643 0.73 TDP1 (0.50) HDAC3EGFRTDP1BCHETNKS
SCHEMBL4582859 0.72 EGFR (0.45) HDAC3EGFRTDP1BCHEHDAC1
SCHEMBL17027808 0.72 LCK (0.47) POLBALDH1A1
SCHEMBL30038528 0.72 LCK (0.47) POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210085581-A1 SUNSCREEN AGENT WITH A PROTECTION AGAINST TEXTILE SPOTTING DUE TO 4-(TERT.-BUTYL)-4'-METHOXYDIBENZOYLMETHANE BEIERSDORF AG (DE) 2021-03-25 US claimed
EP-3311791-B1 ETHANOL SUNSCREEN COMPOSITION WITH A REDUCED LIKELIHOOD OF DISCOLOURING TEXTILES BEIERSDORF AG (DE) 2020-06-17 EP claimed
US-20200163856-A1 SUNSCREEN AGENT WITH PROTECTION AGAINST TEXTILE SPOTTING DUE TO 2,4-BIS-{[4-(2-ETHYL-HEXYLOXY)-2-HYDROXY]-PHENYL}-6-(4-METHOXYPHENYL)-1,3,5-TRIAZINE BEIERSDORF AG (DE) 2020-05-28 US claimed
US-20200163852-A1 SUNSCREEN AGENT WITH PROTECTION AGAINST TEXTILE SPOTTING DUE TO HEXYL 2-[4-(DIETHYLAMINO)-2-HYDROXYBENZOYL]BENZOATE BEIERSDORF AG (DE) 2020-05-28 US claimed
US-20210085581-A1 SUNSCREEN AGENT WITH A PROTECTION AGAINST TEXTILE SPOTTING DUE TO 4-(TERT.-BUTYL)-4'-METHOXYDIBENZOYLMETHANE BEIERSDORF AG (DE) 2021-03-25 US disclosed
US-20200163856-A1 SUNSCREEN AGENT WITH PROTECTION AGAINST TEXTILE SPOTTING DUE TO 2,4-BIS-{[4-(2-ETHYL-HEXYLOXY)-2-HYDROXY]-PHENYL}-6-(4-METHOXYPHENYL)-1,3,5-TRIAZINE BEIERSDORF AG (DE) 2020-05-28 US disclosed
US-20200163852-A1 SUNSCREEN AGENT WITH PROTECTION AGAINST TEXTILE SPOTTING DUE TO HEXYL 2-[4-(DIETHYLAMINO)-2-HYDROXYBENZOYL]BENZOATE BEIERSDORF AG (DE) 2020-05-28 US disclosed